data_2luh_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 2luh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -37.77 82.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.896 . . . . 0.0 109.341 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.26 96.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.855 . . . . 0.0 109.256 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.278 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -59.96 -44.34 94.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.344 -0.848 . . . . 0.0 109.19 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.58 -42.89 95.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.46 -46.11 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.0 109.48 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.92 85.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 108.964 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -61.84 -39.47 91.94 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.44 -0.787 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 109.043 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.42 -33.04 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.409 -0.807 . . . . 0.0 109.475 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.0 -42.72 98.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -64.12 -37.43 87.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.273 -0.892 . . . . 0.0 109.719 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.0 -42.32 98.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.06 -1.025 . . . . 0.0 108.874 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.25 -30.83 70.69 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.25 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.521 -0.737 . . . . 0.0 109.77 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.07 4.88 62.79 Favored Glycine 0 N--CA 1.493 2.452 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.441 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' H ' HG13 ' A' ' 18' ' ' VAL . 81.6 mt -96.9 62.33 1.87 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.263 . . . . 0.0 109.135 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.95 -32.87 76.5 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.48 -43.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.995 -1.297 . . . . 0.0 109.634 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.02 -49.12 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.03 -1.044 . . . . 0.0 108.824 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.35 79.94 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 80.2 t80 -58.59 -48.63 80.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.417 -1.049 . . . . 0.0 109.959 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.1 m-85 -67.57 -36.56 81.16 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.146 -0.971 . . . . 0.0 110.286 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.46 -41.61 98.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 0.0 109.951 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.33 -39.74 94.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.123 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.24 -39.54 92.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.403 -0.81 . . . . 0.0 109.45 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -63.38 -45.66 90.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.398 -0.814 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.53 81.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.045 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.86 -51.15 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 110.002 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.601 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -67.01 -30.41 70.5 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.44 -44.39 95.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.239 0.543 . . . . 0.0 109.555 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.07 -44.75 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 109.329 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -37.45 87.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.476 -0.765 . . . . 0.0 109.795 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -77.0 1.3 18.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.468 -0.77 . . . . 0.0 109.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -93.5 126.27 38.56 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.176 -0.953 . . . . 0.0 109.246 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.0 -36.29 81.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.0 109.862 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.87 125.67 38.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 110.077 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -137.54 142.57 41.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.372 -0.83 . . . . 0.0 109.568 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.21 162.64 16.29 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -53.58 -35.4 60.78 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.913 -1.117 . . . . 0.0 108.716 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.54 -43.04 73.78 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.304 -0.873 . . . . 0.0 109.931 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.405 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.1 mtp -70.44 -41.33 72.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.823 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -62.87 -44.28 96.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 0.0 109.453 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.95 73.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.349 -0.845 . . . . 0.0 109.694 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.21 -39.34 92.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.717 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.29 95.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.0 109.466 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.8 -45.99 92.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 110.352 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.22 -37.62 77.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.621 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.26 -37.87 88.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.58 -39.66 80.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.966 -1.084 . . . . 0.0 109.365 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.01 -42.21 98.91 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.424 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.8 m -65.15 -45.96 82.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.331 -0.855 . . . . 0.0 109.917 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.31 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.308 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.31 -39.16 93.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.59 88.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.236 -0.915 . . . . 0.0 109.007 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.5 t80 -67.61 -48.84 65.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.419 -0.801 . . . . 0.0 109.765 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 50.8 tttt -63.51 -39.81 95.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.0 109.176 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -63.01 -33.81 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -31.28 68.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.528 -0.733 . . . . 0.0 109.241 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 77.3 mt -124.16 9.53 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.542 -0.723 . . . . 0.0 109.892 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.17 -37.62 64.73 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.42 1.38 64.36 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.17 -37.86 75.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.298 . . . . 0.0 109.056 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -134.86 -29.33 1.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.17 -30.78 71.86 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.65 81.18 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.02 -43.65 82.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 108.361 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.98 -39.43 93.46 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -161.41 96.91 1.08 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.19 6.79 48.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 109.604 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -94.59 -75.05 0.52 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.208 -0.932 . . . . 0.0 109.899 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.6 p -66.99 -38.48 86.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.397 -0.814 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.58 -35.39 78.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.616 -1.302 . . . . 0.0 109.638 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.3 t60 -60.14 -45.12 94.12 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.06 -42.7 96.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 108.306 179.354 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.464 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 8.4 ttt -58.87 -36.71 75.05 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.58 -32.92 71.99 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -56.67 -37.74 71.24 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.502 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 62.2 mt -60.41 -40.75 92.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.541 -0.724 . . . . 0.0 109.67 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.0 mt -85.97 -45.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 111.294 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.4 m-70 -72.84 -46.52 52.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 111.097 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -81.29 100.88 9.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.868 -1.145 . . . . 0.0 109.416 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.42 -37.07 86.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 0.0 110.277 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' HD22 ' A' ' 138' ' ' ASN . 84.5 tt0 -62.81 -47.46 83.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 110.343 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -65.78 -41.88 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.381 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.442 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.28 -37.81 88.7 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.388 -0.82 . . . . 0.0 108.91 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -44.86 68.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.469 -0.769 . . . . 0.0 109.597 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.62 -45.9 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 0.0 109.884 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -64.17 -43.61 94.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.095 -1.003 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.35 -41.63 98.75 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.229 -0.919 . . . . 0.0 108.674 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.2 tp -65.68 -42.28 91.45 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.488 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.2 m120 -62.61 -41.63 99.1 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.422 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -65.67 -49.23 69.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.971 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.2 m -63.3 -44.96 93.54 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.384 -0.823 . . . . 0.0 109.141 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.7 mmm -63.74 -38.14 90.01 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.305 -0.872 . . . . 0.0 109.628 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.0 m -62.18 -46.26 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.93 -46.73 73.87 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -60.44 -42.5 96.25 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.685 -0.634 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 55.1 t-20 -60.13 -39.3 85.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.47 -40.02 96.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 110.094 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -62.76 -45.09 94.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.093 -1.005 . . . . 0.0 109.888 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.29 -36.58 81.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.019 -1.05 . . . . 0.0 108.849 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.445 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.2 tttp -60.89 -44.99 96.35 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.6 mt-30 -62.3 -36.65 82.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.446 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -57.75 -32.52 67.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.66 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -59.22 -41.89 89.7 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.741 -0.599 . . . . 0.0 109.921 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.2 m-20 -167.46 -5.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.917 . . . . 0.0 111.048 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -65.37 156.67 48.11 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.95 137.48 62.7 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.782 2.321 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -106.03 135.1 48.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 109.087 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.02 172.68 17.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.02 -1.05 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.56 -38.8 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.71 -0.619 . . . . 0.0 109.46 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.63 -42.49 75.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 108.792 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.45 -35.96 80.92 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.856 . . . . 0.0 108.975 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.48 -47.22 82.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.46 -0.775 . . . . 0.0 110.042 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -67.04 -39.44 86.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.4 m -63.04 -39.51 94.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.0 109.989 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.84 -41.18 97.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.177 -0.952 . . . . 0.0 109.474 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.479 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 46.0 m95 -62.26 -37.05 83.95 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.316 -0.865 . . . . 0.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -41.97 92.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.404 -0.81 . . . . 0.0 109.636 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -40.76 96.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.666 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.92 -42.4 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.872 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.18 -40.49 96.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.082 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.09 -40.63 94.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.328 -0.858 . . . . 0.0 110.478 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.3 -44.23 92.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.954 -1.091 . . . . 0.0 110.178 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t -61.83 -36.55 81.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 0.0 109.683 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.58 -43.06 85.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.892 . . . . 0.0 109.787 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.579 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 110.202 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.46 -45.13 73.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.056 -1.027 . . . . 0.0 110.192 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.601 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 16.9 t60 -67.32 -42.94 82.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.276 -0.89 . . . . 0.0 111.035 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.12 -31.9 71.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 111.594 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -140.47 57.13 1.59 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.759 -1.213 . . . . 0.0 111.296 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.69 -37.56 84.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.826 -1.172 . . . . 0.0 109.061 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.27 -28.57 68.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.495 -0.753 . . . . 0.0 111.058 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.402 HD22 ' HG3' ' A' ' 87' ' ' GLU . 46.7 t30 -91.76 -0.62 57.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.843 -1.16 . . . . 0.0 110.282 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.93 125.9 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.39 -0.819 . . . . 0.0 109.158 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 159.91 33.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -40.54 97.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.343 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.3 m -64.92 -44.5 89.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 109.4 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 m -62.56 -38.82 91.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.323 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 47.5 m -61.67 -39.51 91.66 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.372 -0.83 . . . . 0.0 109.431 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.89 -38.55 75.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.862 . . . . 0.0 109.675 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.487 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.0 m -61.84 -41.62 98.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 0.0 109.214 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.58 -41.23 88.88 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.369 -0.832 . . . . 0.0 109.521 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.93 -36.66 79.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.471 -0.768 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 18.7 tttp -61.78 -41.8 98.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 109.074 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.487 ' NH1' ' O ' ' A' ' 146' ' ' SER . 66.7 mtt85 -62.05 -41.82 98.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 108.977 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.38 -43.03 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.587 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.1 mmtt -61.22 -40.49 94.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.651 -0.656 . . . . 0.0 109.699 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.493 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 47.3 t80 -57.32 -43.6 83.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.395 -0.816 . . . . 0.0 108.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.3 -40.8 94.25 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.292 -0.88 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.352 -0.843 . . . . 0.0 109.618 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.74 -50.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.425 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 1.8 m-85 -66.81 -35.64 80.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 110.495 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.479 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 38.8 tp -59.64 -38.76 82.26 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.009 -1.057 . . . . 0.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.8 t -66.61 -45.01 80.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.248 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.69 -38.46 85.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.575 -0.703 . . . . 0.0 109.364 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.66 -42.33 95.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.334 -0.854 . . . . 0.0 109.662 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.18 62.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.429 -0.794 . . . . 0.0 109.672 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.588 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.4 mtpt -83.16 -3.46 57.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.301 -0.874 . . . . 0.0 109.776 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.75 13.08 83.92 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -74.97 -29.63 60.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.281 -1.129 . . . . 0.0 109.743 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.4 mm -107.04 133.18 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.228 -0.92 . . . . 0.0 109.25 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.979 -1.456 . . . . 0.0 109.55 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.581 ' C ' ' H ' ' B' ' 130' ' ' ILE . 83.6 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.401 HD21 ' HD2' ' B' ' 132' ' ' LYS . 14.8 m120 -75.35 19.79 0.17 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.581 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.7 tt -65.22 -41.89 92.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 90.0 m-20 -74.57 -41.7 60.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' B' ' 129' ' ' ASN . 50.6 mttm -66.87 -40.34 87.79 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.499 0.666 . . . . 0.0 109.957 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 110.452 -178.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.484 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -34.77 76.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.279 -0.888 . . . . 0.0 108.96 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -60.3 -36.85 78.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.27 -33.65 67.84 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.77 -30.13 47.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.4 -38.16 73.84 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . 0.434 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.8 mt-30 -59.66 -36.17 75.88 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -33.5 84.98 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.47 -38.73 72.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.063 -1.257 . . . . 0.0 107.968 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.6 tt0 -60.4 -34.72 74.33 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.467 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.8 tt -55.79 -42.96 76.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 108.743 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -58.7 -41.43 86.29 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.25 -37.97 87.46 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.04 -51.1 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.94 -33.26 75.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.37 96.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.847 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.66 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.6 mtp -65.17 -39.96 93.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.019 -1.051 . . . . 0.0 109.492 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.03 -39.18 88.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 0.0 109.359 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 1.0 OUTLIER 170.27 106.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.468 -0.77 . . . . 0.0 109.131 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.96 -36.11 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.111 -0.993 . . . . 0.0 108.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -84.58 6.37 24.11 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.77 97.93 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -118.63 152.95 35.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.98 . . . . 0.0 109.142 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.31 -33.41 63.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.398 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.31 -32.6 70.22 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -75.3 -23.01 57.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -0.896 . . . . 0.0 109.621 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.2 mt -101.88 135.51 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 108.896 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 89.1 p -59.77 69.17 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.42 -0.8 . . . . 0.0 110.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.4 t0 -64.58 -38.38 90.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.84 77.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.042 -1.036 . . . . 0.0 111.395 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -43.11 67.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.889 -1.132 . . . . 0.0 109.823 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.16 -38.16 90.07 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.523 -0.736 . . . . 0.0 110.228 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.587 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.1 m-20 -60.64 -43.12 97.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.506 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.74 81.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.975 -1.078 . . . . 0.0 109.849 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.588 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.88 -36.74 85.33 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.141 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.47 -35.79 81.16 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.941 -1.099 . . . . 0.0 110.693 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 27.6 m-20 -61.45 -37.33 83.17 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 120.945 -1.097 . . . . 0.0 108.505 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.73 73.1 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.09 -35.44 80.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.929 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.92 73.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.977 -1.077 . . . . 0.0 108.394 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.63 -34.7 76.13 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.546 -0.721 . . . . 0.0 109.116 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.69 -40.41 94.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.493 -0.754 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -93.78 -17.65 22.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.053 -1.03 . . . . 0.0 110.847 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.3 -1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.413 -179.43 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -60.67 -38.47 85.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.189 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.43 -0.794 . . . . 0.0 109.47 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.95 95.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -59.97 -39.3 85.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 108.823 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.38 -42.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.21 -47.33 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.29 83.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 108.786 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -62.41 -38.98 91.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.435 -0.79 . . . . 0.0 109.135 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.04 91.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.888 . . . . 0.0 109.078 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.84 -33.3 73.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 0.0 109.694 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.279 -0.888 . . . . 0.0 109.406 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -63.28 -43.14 98.76 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.953 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.56 -40.8 96.0 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.4 -30.83 71.49 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -4.39 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.467 -0.771 . . . . 0.0 109.613 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.39 4.96 62.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -101.55 62.97 0.94 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.105 -1.232 . . . . 0.0 109.394 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.7 92.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -57.9 -42.94 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.08 -1.247 . . . . 0.0 109.843 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -65.92 -47.64 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.95 -1.094 . . . . 0.0 108.912 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.91 -32.85 83.47 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 72.5 t80 -58.44 -47.09 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.416 -1.049 . . . . 0.0 109.961 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.499 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 29.7 m-85 -66.37 -34.68 78.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.942 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.12 -36.65 84.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.042 -1.036 . . . . 0.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.406 HE22 HG21 ' A' ' 55' ' ' THR . 94.8 mt-30 -59.68 -41.52 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.976 . . . . 0.0 109.748 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.72 -39.63 91.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.97 -1.081 . . . . 0.0 109.117 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 23.2 t80 -64.93 -44.07 90.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 110.318 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.54 87.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.034 -1.041 . . . . 0.0 110.11 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.42 -46.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.458 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -63.36 -32.24 73.61 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.09 -46.05 92.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.52 -45.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 0.0 109.481 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -37.45 87.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.346 -0.846 . . . . 0.0 109.583 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.0 p -68.24 -13.82 62.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -86.79 123.83 32.37 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.479 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.829 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.11 125.72 34.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.0 110.02 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -138.61 143.53 39.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.299 -0.876 . . . . 0.0 109.683 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.13 159.34 20.17 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -52.93 -34.79 56.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.86 -1.15 . . . . 0.0 108.505 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.11 -42.25 72.91 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.296 -0.878 . . . . 0.0 109.908 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.3 mtp -70.37 -41.1 73.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.044 -1.035 . . . . 0.0 109.776 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.1 m -61.92 -42.44 99.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 0.0 109.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -34.23 77.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.369 -0.832 . . . . 0.0 109.793 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 109.601 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.02 88.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 m -62.28 -45.56 92.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 110.416 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.36 -38.1 73.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.731 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.28 -39.65 95.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 mt -58.3 -38.98 78.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.286 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.82 -42.36 98.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.214 -0.929 . . . . 0.0 108.945 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.406 HG21 HE22 ' A' ' 28' ' ' GLN . 81.7 m -64.9 -45.91 83.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.467 -0.771 . . . . 0.0 109.805 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.22 -47.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.507 -0.746 . . . . 0.0 109.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.67 -38.33 90.61 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.055 -1.028 . . . . 0.0 109.054 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -41.42 74.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 108.887 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 64.0 t80 -66.15 -48.93 69.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.42 -0.8 . . . . 0.0 109.642 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.3 tttt -65.51 -41.62 92.99 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.299 -0.876 . . . . 0.0 109.077 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -63.07 -33.77 76.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.51 -31.15 67.63 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 78.7 mt -124.24 8.15 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.634 -0.666 . . . . 0.0 109.912 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.25 -37.98 60.68 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 1.43 64.35 Favored Glycine 0 N--CA 1.489 2.213 0 O-C-N 121.199 -1.177 . . . . 0.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.15 -38.7 77.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.894 -1.356 . . . . 0.0 108.95 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -29.14 1.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.16 -30.7 71.8 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.35 81.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.379 -0.826 . . . . 0.0 109.266 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -43.51 81.98 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.35 -39.26 92.12 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -161.29 97.6 1.12 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.87 7.23 46.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.537 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -95.35 -76.05 0.5 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.3 p -67.23 -39.06 86.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.39 -0.818 . . . . 0.0 111.194 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.35 -34.97 78.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.551 -1.343 . . . . 0.0 109.619 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.7 t60 -59.96 -45.18 93.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.59 -43.24 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.046 -1.034 . . . . 0.0 108.355 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.3 ttt -58.77 -36.73 74.88 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.74 -32.76 72.03 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.536 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.589 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 28.0 m -57.01 -37.47 71.75 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 61.8 mt -60.17 -42.04 94.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.519 -0.738 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -84.09 -45.4 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.937 . . . . 0.0 111.209 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.2 m-70 -72.49 -46.22 55.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 111.214 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.27 99.92 9.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.867 -1.146 . . . . 0.0 109.705 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.1 mp0 -64.46 -36.48 84.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -47.46 83.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.237 -0.915 . . . . 0.0 110.112 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -66.38 -42.84 87.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.0 109.096 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.27 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.12 72.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.37 -45.39 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.222 -0.924 . . . . 0.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.63 -44.82 95.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.89 . . . . 0.0 109.069 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.7 -41.34 99.08 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.36 -39.91 94.68 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.477 ' O ' ' OG ' ' A' ' 99' ' ' SER . 0.9 OUTLIER -62.02 -46.05 90.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.401 -0.812 . . . . 0.0 109.526 179.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.52 -48.1 78.94 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.339 -0.851 . . . . 0.0 109.12 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.8 m -63.04 -45.67 91.19 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.394 -0.816 . . . . 0.0 109.167 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.413 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.8 mmm -64.69 -39.4 93.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.192 -0.942 . . . . 0.0 109.415 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.0 m -62.42 -46.63 87.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.265 -0.897 . . . . 0.0 109.206 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.623 ' CD2' ' HG ' ' A' ' 124' ' ' CYS . 59.0 tp -66.65 -45.12 80.02 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.67 -41.19 97.21 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.577 -0.702 . . . . 0.0 109.628 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.93 -39.91 93.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 110.271 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.46 -40.74 96.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 110.058 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.59 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 42.3 mmtt -64.04 -45.28 89.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.028 -1.045 . . . . 0.0 109.569 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.82 -36.66 80.78 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.59 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 29.8 tttp -61.29 -45.53 94.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.4 -36.61 82.88 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.79 -33.01 68.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.497 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 63.4 tttt -59.24 -41.27 88.36 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.686 -0.634 . . . . 0.0 109.945 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.8 m-20 -167.56 -5.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.171 -0.956 . . . . 0.0 111.225 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.5 157.67 49.85 Favored Glycine 0 N--CA 1.493 2.499 0 O-C-N 120.627 -1.296 . . . . 0.0 110.039 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.45 137.67 61.31 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.779 2.319 . . . . 0.0 112.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.403 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.22 136.33 46.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.23 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -157.3 171.97 19.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.984 . . . . 0.0 110.327 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.56 -38.73 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 59.9 ttp -54.86 -42.54 72.13 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.827 -1.17 . . . . 0.0 108.711 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.29 -35.54 79.35 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.282 -0.887 . . . . 0.0 108.994 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -57.79 -47.28 83.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -67.09 -39.81 86.85 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.419 -0.8 . . . . 0.0 109.969 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.59 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.9 t -63.79 -38.97 93.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.246 -0.909 . . . . 0.0 109.819 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.46 -41.93 97.98 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.202 -0.936 . . . . 0.0 109.406 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.477 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.9 m95 -62.43 -37.36 85.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 108.845 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.37 92.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.422 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.623 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 56.5 m -63.26 -39.88 95.85 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.265 -0.897 . . . . 0.0 109.69 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.96 -42.18 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.907 . . . . 0.0 110.039 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.39 -40.29 90.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 109.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.73 -40.66 95.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.465 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.28 -43.83 93.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.941 -1.1 . . . . 0.0 110.141 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 m -62.17 -36.38 81.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 110.034 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -65.88 -42.13 90.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.153 -0.967 . . . . 0.0 109.803 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.436 HG21 HD12 ' A' ' 131' ' ' ILE . 98.7 mt -59.57 -44.54 93.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.09 -1.006 . . . . 0.0 110.047 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.04 -44.88 62.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.136 -0.978 . . . . 0.0 110.361 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.513 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 5.7 t60 -67.78 -46.09 73.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 110.972 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.409 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 94.6 mt -63.82 -32.35 73.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.94 . . . . 0.0 111.411 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -129.57 52.64 1.97 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.022 -1.049 . . . . 0.0 111.035 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -62.47 -38.27 89.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 109.336 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.499 -0.751 . . . . 0.0 111.558 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.94 1.1 57.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.673 -1.267 . . . . 0.0 110.595 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.29 128.04 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.344 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.2 m -70.74 159.84 33.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.281 -0.887 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.23 -40.25 96.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.6 m -64.63 -44.97 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.0 109.634 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 m -62.62 -38.65 91.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.0 109.438 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.9 m -61.84 -40.18 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.455 -0.778 . . . . 0.0 109.575 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.94 -38.77 76.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 109.904 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.89 -42.54 99.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.03 -40.96 87.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.86 -36.94 80.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.533 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.26 -39.82 94.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.076 -1.015 . . . . 0.0 108.916 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.413 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 91.2 mtt180 -61.4 -41.91 97.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 109.124 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.66 -40.53 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.591 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.3 mmtt -60.8 -40.35 92.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.691 -0.631 . . . . 0.0 109.738 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 53.8 t80 -56.69 -43.63 80.66 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.408 -0.807 . . . . 0.0 108.956 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -40.59 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -58.57 -44.0 89.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.64 -50.59 48.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.225 -0.922 . . . . 0.0 110.733 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 1.9 m-85 -66.61 -35.62 80.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 110.472 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.477 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 34.9 tp -59.8 -38.13 81.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 108.444 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -67.12 -44.73 79.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -61.28 -38.47 86.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.459 -0.775 . . . . 0.0 109.384 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.39 -42.13 96.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 109.725 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.63 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.706 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.587 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.5 mtpt -83.87 -4.07 58.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.296 -0.877 . . . . 0.0 109.798 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.75 12.39 84.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.91 -29.65 61.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 166' ' ' ILE . 21.2 mm -106.92 132.12 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.194 -0.941 . . . . 0.0 109.102 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 CA-C-O 118.029 -1.429 . . . . 0.0 109.575 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.592 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.401 HD21 ' HD2' ' B' ' 132' ' ' LYS . 17.0 m120 -75.44 19.92 0.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.592 ' H ' ' C ' ' B' ' 128' ' ' ILE . 21.1 tt -63.75 -42.48 96.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.478 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 90.5 m-20 -75.63 -43.18 49.2 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.889 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' B' ' 129' ' ' ASN . 80.8 mttt -65.66 -39.36 91.27 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.417 0.627 . . . . 0.0 110.089 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.431 -0.793 . . . . 0.0 110.124 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 84.5 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.756 0.789 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -59.69 -33.18 71.25 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.173 -0.954 . . . . 0.0 108.513 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.01 -36.36 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.495 -0.753 . . . . 0.0 108.97 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 3.6 mm? -60.16 -37.85 81.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.089 -1.007 . . . . 0.0 108.673 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.85 -30.08 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.24 -37.53 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.67 -36.29 76.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.6 -32.51 81.65 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -55.94 -39.27 71.46 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.033 -1.275 . . . . 0.0 107.984 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 75.3 tt0 -60.6 -33.97 73.52 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.1 tt -54.89 -44.51 74.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.53 -39.46 91.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.375 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.557 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 10.8 tm-20 -61.54 -38.38 87.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.779 . . . . 0.0 109.821 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 28.9 t -63.25 -50.33 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.076 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.57 -33.15 75.03 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.11 99.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.323 -0.861 . . . . 0.0 109.665 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.557 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 41.7 mtt -66.63 -38.7 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.945 -1.097 . . . . 0.0 109.699 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.73 -38.85 86.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.22 -0.925 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.672 ' N ' HD21 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 170.86 106.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.508 -0.745 . . . . 0.0 109.03 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.83 -35.91 71.55 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.023 -1.048 . . . . 0.0 109.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.6 p -84.13 3.37 35.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.95 97.9 0.07 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -121.97 153.45 38.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.93 . . . . 0.0 109.018 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.404 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.6 mp -55.32 -33.65 63.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 109.48 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.41 -32.33 70.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.24 -0.913 . . . . 0.0 109.599 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.27 -23.62 57.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.354 -0.841 . . . . 0.0 109.791 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 35.9 mt -102.6 134.29 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.943 . . . . 0.0 108.85 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 71.4 m -58.61 71.94 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.482 -0.761 . . . . 0.0 110.226 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.9 t0 -64.9 -39.07 92.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.47 79.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 0.0 111.282 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . 0.442 ' OE2' ' CD ' ' B' ' 174' ' ' GLU . 1.3 tm-20 -71.25 -43.39 67.34 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.876 -1.14 . . . . 0.0 109.838 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.04 89.59 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.527 -0.733 . . . . 0.0 110.123 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.591 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.3 m-20 -60.22 -42.64 95.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 0.0 110.587 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.62 82.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.002 -1.061 . . . . 0.0 110.052 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.587 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.62 -36.5 84.45 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.44 -35.48 80.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.981 -1.074 . . . . 0.0 110.691 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 25.0 m-20 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.393 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.0 -35.35 80.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.871 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.32 71.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.97 -1.081 . . . . 0.0 108.255 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.75 -33.64 74.41 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -61.19 -40.59 94.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.443 -0.785 . . . . 0.0 110.394 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.8 -17.47 23.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 110.465 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.3 -1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.304 -179.456 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -60.45 -36.53 78.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.319 -0.863 . . . . 0.0 109.354 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.08 96.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.848 . . . . 0.0 109.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 -48.13 61.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.846 . . . . 0.0 109.974 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 50.2 ttt-85 -59.88 -41.97 92.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.954 . . . . 0.0 109.478 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.85 -41.86 90.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.599 -0.688 . . . . 0.0 109.145 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.65 -47.18 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.894 . . . . 0.0 109.476 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.13 84.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.027 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 86.3 m -62.54 -38.69 91.0 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.384 -0.822 . . . . 0.0 108.968 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.23 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.353 -0.842 . . . . 0.0 109.042 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -61.55 -32.08 72.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.355 -0.84 . . . . 0.0 109.471 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -60.89 -41.66 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.87 . . . . 0.0 109.698 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -63.95 -38.8 92.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.323 -0.861 . . . . 0.0 109.958 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.15 -39.79 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.963 -1.086 . . . . 0.0 109.187 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -61.52 -32.97 73.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.429 -0.794 . . . . 0.0 109.978 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -0.53 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.77 4.37 63.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.8 mt -101.6 41.37 1.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -1.167 . . . . 0.0 109.17 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.54 -32.01 37.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.28 -42.5 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.952 -1.322 . . . . 0.0 109.063 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.88 -48.13 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.934 -1.104 . . . . 0.0 108.573 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.45 81.07 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.35 -46.6 85.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -1.12 . . . . 0.0 109.73 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 27.7 m-85 -67.18 -36.97 82.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.852 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.96 -41.17 99.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 109.803 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.95 -40.35 95.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.071 -1.018 . . . . 0.0 108.921 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.68 -39.17 93.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.478 -0.764 . . . . 0.0 108.972 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -64.85 -46.88 80.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.71 81.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.97 -50.58 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.09 -1.006 . . . . 0.0 109.675 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -66.95 -30.28 70.37 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.14 -45.02 94.45 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.23 -44.21 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.306 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.62 -37.46 87.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.499 -0.751 . . . . 0.0 109.822 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.4 m -77.14 1.32 18.62 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.431 -0.793 . . . . 0.0 109.235 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -93.27 125.25 37.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.309 -0.869 . . . . 0.0 109.297 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.7 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -92.59 125.73 37.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.136 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -136.27 143.34 44.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.669 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.16 159.38 20.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -52.89 -34.65 55.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.832 -1.167 . . . . 0.0 108.46 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.404 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -68.68 -41.0 79.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.947 -1.095 . . . . 0.0 109.82 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -62.79 -43.86 97.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.79 72.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.79 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.23 -39.56 93.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.268 -0.895 . . . . 0.0 109.758 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.23 91.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 m -60.71 -45.92 92.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.471 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.39 -37.58 75.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 109.596 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.78 -37.13 86.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.883 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.75 -38.56 78.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 0.0 109.26 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.33 -44.16 97.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 109.511 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 m -68.25 -48.62 64.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 0.0 109.713 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -60.57 -47.62 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 109.553 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -42.07 92.56 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 109.093 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.32 87.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.166 -0.959 . . . . 0.0 109.013 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.4 t80 -62.59 -47.94 81.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.487 -0.758 . . . . 0.0 109.951 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.1 tttt -63.6 -43.56 96.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.798 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -63.31 -33.16 74.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 108.688 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.83 -31.01 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.399 -0.813 . . . . 0.0 108.85 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 71.8 mt -124.14 7.95 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.557 -0.714 . . . . 0.0 109.693 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.94 -38.13 73.51 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 2.85 63.49 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.67 -36.67 79.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.975 -1.309 . . . . 0.0 108.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 -31.27 1.27 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.84 -30.6 71.68 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.57 81.86 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.394 -0.816 . . . . 0.0 109.193 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.55 -43.58 80.05 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.49 -39.28 91.72 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.0 t -159.34 96.17 1.28 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.56 8.26 44.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 109.65 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -98.55 -75.28 0.56 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 110.112 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.5 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 87.9 p -67.08 -40.55 87.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.341 -0.849 . . . . 0.0 111.325 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.5 ' N ' ' HG ' ' A' ' 75' ' ' SER . 35.2 tp -66.08 -35.53 80.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.535 -1.353 . . . . 0.0 109.582 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -59.57 -44.56 93.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.175 -0.953 . . . . 0.0 109.155 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.98 -44.5 97.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.468 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 8.0 ttt -58.9 -36.58 74.93 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.671 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.13 -33.02 71.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 m -57.53 -38.52 74.82 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.501 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 72.2 mt -60.06 -40.86 90.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.555 -0.716 . . . . 0.0 109.562 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.56 -45.12 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.191 -0.943 . . . . 0.0 111.557 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.671 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 41.8 m-70 -77.58 -45.72 24.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 111.408 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -76.55 98.14 4.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.853 -1.154 . . . . 0.0 109.118 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.12 -37.45 87.5 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.05 -47.38 83.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.0 110.068 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.29 -43.21 86.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 0.0 109.339 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.513 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.73 -37.84 88.85 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 108.794 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HZ3' ' ND2' ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.18 -45.64 72.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.461 -0.775 . . . . 0.0 109.68 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.83 -43.67 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.0 109.487 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -44.12 90.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.15 -0.969 . . . . 0.0 109.5 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.35 -42.47 99.42 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.46 -41.29 96.62 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 89.9 m-20 -62.86 -42.03 99.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.366 -0.834 . . . . 0.0 109.391 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -65.36 -49.35 69.7 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.837 . . . . 0.0 109.017 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.0 m -63.54 -44.53 93.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.459 -0.776 . . . . 0.0 109.175 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.659 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 89.5 mmm -63.07 -38.85 92.84 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.255 -0.903 . . . . 0.0 109.49 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -61.82 -46.4 89.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 43.6 tp -66.15 -43.04 88.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -61.68 -41.43 97.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.533 -0.73 . . . . 0.0 109.57 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 51.2 t-20 -61.46 -40.57 95.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.198 -0.939 . . . . 0.0 109.801 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.648 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -63.62 -45.52 89.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -0.937 . . . . 0.0 109.68 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.12 -35.7 76.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.095 -1.003 . . . . 0.0 108.599 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.5 tttp -59.78 -44.48 93.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 117' ' ' LEU . 41.9 tt0 -63.95 -37.38 87.19 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -59.96 -32.13 70.52 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -58.86 -39.87 82.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.581 -0.7 . . . . 0.0 110.196 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.35 -24.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.182 -0.949 . . . . 0.0 110.266 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.24 156.98 1.43 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.83 141.39 89.9 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.891 2.394 . . . . 0.0 112.812 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -106.13 138.15 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 108.886 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.17 173.02 17.44 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.919 -1.113 . . . . 0.0 110.42 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.37 -39.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.1 ttp -54.05 -41.99 68.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.993 -1.067 . . . . 0.0 108.231 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.507 ' CD2' ' OE1' ' A' ' 107' ' ' GLN . 46.6 tp -61.91 -36.95 82.86 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.424 -0.797 . . . . 0.0 109.074 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 85.2 tttt -57.64 -47.58 81.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.411 -0.806 . . . . 0.0 109.785 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -68.58 -37.48 79.89 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.576 -0.703 . . . . 0.0 110.324 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.0 p -62.31 -39.16 92.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.236 -0.915 . . . . 0.0 110.307 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.14 -40.27 95.8 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.006 -1.059 . . . . 0.0 109.211 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.482 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 46.7 m95 -62.35 -38.02 87.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.297 -0.877 . . . . 0.0 109.112 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -40.57 87.35 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.523 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.555 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 74.8 m -62.54 -40.69 97.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.869 . . . . 0.0 109.651 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.02 -42.24 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.31 -0.868 . . . . 0.0 109.898 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.13 -41.36 96.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.193 -0.942 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.47 -40.39 96.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 110.176 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -64.96 -44.11 90.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 110.044 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.5 m -60.99 -36.39 79.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.739 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.65 -43.57 84.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.892 . . . . 0.0 109.77 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.585 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 98.7 mt -59.38 -42.22 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.082 -1.011 . . . . 0.0 110.202 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.75 -45.12 75.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 0.0 110.208 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.584 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 18.4 t60 -69.93 -43.19 72.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 111.294 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.36 -32.47 70.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.218 -0.926 . . . . 0.0 111.496 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -142.21 59.85 1.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.737 -1.227 . . . . 0.0 110.99 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -61.74 -38.27 87.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 109.039 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.25 -27.15 66.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.637 -0.664 . . . . 0.0 111.158 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.515 ' ND2' ' HZ3' ' A' ' 90' ' ' LYS . 8.6 t30 -91.71 -0.43 57.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.798 -1.188 . . . . 0.0 110.4 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.31 126.06 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.866 . . . . 0.0 108.927 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.85 159.76 34.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 109.539 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.4 -40.27 95.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.32 -0.862 . . . . 0.0 109.419 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.9 m -63.88 -45.69 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.364 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 m -63.47 -38.35 90.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.096 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.8 m -61.51 -39.69 91.91 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.419 -0.801 . . . . 0.0 109.445 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -57.96 -40.01 79.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.783 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 t -62.0 -40.69 96.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.0 109.038 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.491 -0.756 . . . . 0.0 109.593 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.53 -37.32 80.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 109.478 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -62.13 -41.05 97.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.01 . . . . 0.0 108.549 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.659 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.0 mtt180 -62.42 -42.89 99.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.35 -0.844 . . . . 0.0 108.799 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.25 -46.96 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 17.7 mmtt -61.07 -37.29 82.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.633 -0.667 . . . . 0.0 109.372 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -56.22 -43.8 78.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 25.3 m -66.24 -42.13 89.04 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.56 -44.09 89.59 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.446 -0.784 . . . . 0.0 109.726 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.8 mt -69.61 -50.17 52.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.7 m-85 -66.83 -36.63 82.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.197 -0.939 . . . . 0.0 110.467 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.482 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.0 tp -60.39 -37.51 81.02 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.9 m -66.64 -45.17 79.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.937 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -60.37 -37.19 79.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.42 -0.8 . . . . 0.0 109.695 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.68 -35.33 74.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.193 -0.942 . . . . 0.0 108.529 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.65 71.29 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.556 -0.715 . . . . 0.0 109.662 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.493 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 49.7 mttm -77.96 -16.29 58.28 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.052 -1.03 . . . . 0.0 109.011 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.03 11.25 76.81 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.63 -29.16 61.18 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.548 -0.972 . . . . 0.0 109.93 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.4 mm -101.94 131.18 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.092 -1.005 . . . . 0.0 109.031 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.646 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.6 ' C ' ' H ' ' B' ' 130' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.411 HD21 ' N ' ' B' ' 129' ' ' ASN . 2.8 m120 -75.34 19.95 0.16 Allowed 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.6 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.6 tt -66.51 -42.1 89.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.496 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.9 m-20 -69.82 -41.91 74.35 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.698 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -66.81 -46.01 76.56 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.674 0.749 . . . . 0.0 109.057 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.887 0.851 . . . . 0.0 109.527 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 52.8 mtp . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.739 0.781 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.0 -34.44 78.11 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.325 -0.86 . . . . 0.0 108.89 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.02 -37.54 80.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.78 -33.99 69.12 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.56 -30.61 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.16 -0.963 . . . . 0.0 108.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.02 -38.36 70.41 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . 0.413 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 7.1 tt0 -59.25 -36.51 75.62 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.42 81.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -55.79 -39.64 71.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.041 -1.27 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 tt0 -60.47 -34.16 73.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.8 tt -55.26 -44.66 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.08 -41.42 96.61 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 0.0 108.819 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.564 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.9 -38.34 88.01 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.701 -0.624 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 33.3 t -64.75 -50.67 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 110.24 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -67.01 -33.24 75.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.126 -0.984 . . . . 0.0 109.169 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.06 97.82 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 83.7 mtp -64.7 -37.2 86.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.0 t-20 -60.4 -38.89 85.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 109.363 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.64 106.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.401 -0.812 . . . . 0.0 109.217 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.33 -35.58 72.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.161 -0.962 . . . . 0.0 109.193 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.4 p -82.37 0.68 40.78 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -60.92 99.36 0.19 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -114.93 152.03 33.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.481 -1.011 . . . . 0.0 109.34 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 40.4 mt -55.06 -32.74 62.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -0.907 . . . . 0.0 109.463 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -58.92 -30.39 67.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.9 . . . . 0.0 109.371 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -75.45 -21.19 58.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.613 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.1 mt -101.82 131.71 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.22 -0.925 . . . . 0.0 108.784 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 66.6 m -58.06 72.43 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 0.0 110.392 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.3 t0 -64.2 -36.67 84.84 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.011 -1.055 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.28 71.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.016 -1.053 . . . . 0.0 112.014 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.9 67.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.752 -1.218 . . . . 0.0 109.823 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -38.61 90.23 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.676 -0.64 . . . . 0.0 110.531 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 90.8 m-20 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.136 -0.977 . . . . 0.0 110.496 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.47 86.05 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.007 -1.058 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.493 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.08 -37.62 86.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.235 -0.916 . . . . 0.0 110.298 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.77 -35.19 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.957 -1.089 . . . . 0.0 110.439 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 33.0 m-20 -61.67 -36.84 81.98 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.81 71.37 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.075 -1.016 . . . . 0.0 108.339 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.07 -37.14 83.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.49 -0.756 . . . . 0.0 110.067 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.56 -43.27 84.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.56 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.56 -36.71 81.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.353 -0.842 . . . . 0.0 109.445 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.8 tm-20 -70.77 -45.42 64.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.325 -0.859 . . . . 0.0 110.169 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.579 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.3 m-20 -70.13 -36.63 74.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.121 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.3 -1.573 0 O-C-N 121.448 -0.782 . . . . 0.0 109.223 -179.519 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -60.62 -36.55 78.89 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.307 -0.87 . . . . 0.0 109.38 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.6 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.319 -0.863 . . . . 0.0 109.583 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.6 88.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.919 . . . . 0.0 110.064 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 46.8 ttt-85 -59.89 -41.34 91.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.133 -0.979 . . . . 0.0 109.287 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.63 -40.36 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.38 -47.61 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.188 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.66 82.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.285 -0.884 . . . . 0.0 108.713 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 47.1 m -61.39 -38.65 87.81 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -39.19 80.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.402 -0.811 . . . . 0.0 108.841 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -60.54 -33.27 72.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.376 -0.828 . . . . 0.0 109.139 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.37 -38.89 85.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 109.215 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -63.06 -43.47 98.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.248 -0.907 . . . . 0.0 108.85 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.36 -41.45 97.08 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.98 -29.04 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -9.44 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.516 -0.74 . . . . 0.0 109.473 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.29 4.73 62.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.2 mt -103.94 58.77 0.73 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -1.172 . . . . 0.0 109.151 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.88 62.77 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.1 mt -57.47 -43.4 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.95 -1.323 . . . . 0.0 109.585 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.69 -47.47 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.041 -1.037 . . . . 0.0 108.797 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.43 84.11 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 73.0 t80 -58.24 -47.88 82.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -1.036 . . . . 0.0 109.96 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.4 m-85 -66.41 -34.92 79.03 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.081 -1.012 . . . . 0.0 109.814 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.65 -36.89 85.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.56 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.82 -41.63 87.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.098 -1.001 . . . . 0.0 108.968 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.7 -37.5 84.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.175 -0.953 . . . . 0.0 108.823 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.546 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 72.4 t80 -60.72 -46.08 91.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.523 -0.736 . . . . 0.0 110.546 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.87 85.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 110.092 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.992 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.644 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -65.2 -33.36 75.81 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.431 -0.793 . . . . 0.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' N ' HD11 ' A' ' 34' ' ' LEU . 6.7 mp -61.23 -45.5 94.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.553 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.83 -45.5 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.893 . . . . 0.0 109.388 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.64 -36.57 84.68 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.396 -0.815 . . . . 0.0 109.696 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -68.04 -14.3 62.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -91.06 123.74 34.76 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.508 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.383 -0.823 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.96 125.85 32.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.177 -0.952 . . . . 0.0 110.009 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.69 144.27 37.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.605 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 45' ' ' MET . 55.0 m -114.1 160.39 18.99 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.89 -34.84 56.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.974 -1.079 . . . . 0.0 108.533 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.15 -44.57 68.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.269 -0.894 . . . . 0.0 109.815 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.402 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -69.82 -40.9 75.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.957 -1.089 . . . . 0.0 109.981 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 m -63.08 -42.86 99.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.755 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.43 76.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.814 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.33 -40.63 96.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.286 -0.884 . . . . 0.0 109.659 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.06 92.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.13 -0.982 . . . . 0.0 109.527 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.66 -45.85 92.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.422 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -38.31 77.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.229 -0.92 . . . . 0.0 109.908 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.1 -1.0 . . . . 0.0 109.977 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.82 -40.47 84.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.979 -1.076 . . . . 0.0 109.394 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.9 -42.19 99.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.29 -0.881 . . . . 0.0 109.308 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 m -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.81 -51.22 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.077 -1.015 . . . . 0.0 109.204 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.04 -38.49 88.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -0.93 . . . . 0.0 109.584 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.72 88.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.165 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.25 -48.93 60.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.368 -0.833 . . . . 0.0 109.65 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.8 tttt -64.08 -39.68 94.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.377 -0.827 . . . . 0.0 109.34 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -62.91 -33.96 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.98 -31.49 68.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.516 -0.74 . . . . 0.0 109.165 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 76.0 mt -123.63 9.72 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.559 -0.713 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.24 -37.92 55.78 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.78 3.06 64.48 Favored Glycine 0 N--CA 1.489 2.214 0 O-C-N 121.217 -1.167 . . . . 0.0 110.282 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.78 -37.15 83.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.041 -1.27 . . . . 0.0 109.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.92 -29.66 1.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.47 -31.33 72.46 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.77 81.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.504 -0.747 . . . . 0.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.67 -44.13 81.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.608 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.72 -39.68 94.06 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -158.49 94.89 1.3 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.2 p30 -93.06 6.44 47.96 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.93 . . . . 0.0 109.675 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -95.53 -74.83 0.54 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.279 -0.888 . . . . 0.0 110.008 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -67.16 -38.15 84.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.416 -0.803 . . . . 0.0 111.393 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.81 -36.48 72.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.547 -1.346 . . . . 0.0 109.726 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.42 -45.32 94.06 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.7 -41.76 93.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.459 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.7 ttt -58.85 -36.46 74.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.94 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -56.92 -37.68 71.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 59.3 mt -60.26 -40.88 91.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.458 -0.776 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.2 mt -85.68 -45.49 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.258 -0.901 . . . . 0.0 111.361 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.469 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 87.0 m-70 -73.26 -46.29 50.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 0.0 111.195 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.28 100.95 9.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.836 -1.165 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.55 -37.27 86.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.468 -0.77 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.8 -47.46 83.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 110.411 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -66.1 -41.8 90.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.327 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.76 88.54 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.289 -0.882 . . . . 0.0 108.795 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -45.77 68.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.658 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 91' ' ' ILE . 75.6 mt -62.76 -46.14 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.927 . . . . 0.0 109.907 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -62.85 -44.21 96.72 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.141 -0.974 . . . . 0.0 109.384 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.93 -43.23 99.37 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.161 -0.962 . . . . 0.0 108.879 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.94 -42.16 99.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.471 -0.768 . . . . 0.0 109.051 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.486 ' O ' ' OG ' ' A' ' 99' ' ' SER . 94.8 m-20 -62.6 -41.02 98.72 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.536 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.19 -49.36 70.05 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.237 -0.914 . . . . 0.0 108.944 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.1 m -63.27 -45.32 92.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.402 -0.811 . . . . 0.0 108.893 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.653 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.5 mmm -63.21 -39.51 94.84 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.336 -0.853 . . . . 0.0 109.423 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.4 m -62.65 -46.45 88.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.008 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 57.1 tp -66.38 -44.41 83.22 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.62 -41.56 97.64 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.567 -0.708 . . . . 0.0 109.695 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 46.3 t30 -61.86 -39.56 92.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.297 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.35 -39.82 94.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.134 -0.979 . . . . 0.0 109.971 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.581 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 29.4 mmtp -63.6 -45.2 91.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.077 -1.014 . . . . 0.0 109.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.09 -36.6 82.31 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.885 -1.135 . . . . 0.0 108.176 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.586 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 14.2 tttt -60.56 -46.03 91.71 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.33 -36.87 83.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.445 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.6 tp -58.03 -33.15 68.67 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 16.6 tttt -59.18 -39.36 82.31 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.756 -0.59 . . . . 0.0 110.016 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.24 -20.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.155 -0.966 . . . . 0.0 110.924 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.94 158.03 3.14 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.19 138.96 69.72 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.937 2.424 . . . . 0.0 112.609 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.404 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.3 m-90 -106.58 135.84 47.4 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -157.56 172.06 19.23 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.939 -1.101 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.4 t -55.65 -38.86 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.6 ttm -54.98 -42.45 72.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.982 -1.074 . . . . 0.0 108.687 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.1 tp -62.33 -35.76 80.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.951 . . . . 0.0 109.004 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.34 -47.1 82.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.489 -0.757 . . . . 0.0 109.998 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -67.72 -39.76 84.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.38 -0.825 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.581 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 14.8 m -62.92 -39.88 95.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.868 . . . . 0.0 109.931 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.88 -40.6 95.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.207 -0.933 . . . . 0.0 109.197 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.451 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 42.0 m95 -63.44 -38.55 91.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.26 -0.9 . . . . 0.0 109.077 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.66 -39.73 91.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.529 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 66.6 m -62.96 -40.22 97.02 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.624 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.56 -42.02 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.3 -40.2 89.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.087 -1.008 . . . . 0.0 109.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.72 -39.18 93.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 110.421 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -64.72 -44.75 89.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 110.128 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -62.34 -36.47 82.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 109.868 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 95.8 m -64.62 -43.17 94.59 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.984 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 131' ' ' ILE . 95.9 mt -58.97 -45.09 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 110.139 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.85 -41.81 82.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.014 -1.054 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.644 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 6.6 t60 -70.08 -45.24 67.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.487 -0.758 . . . . 0.0 110.706 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.59 -34.09 76.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.332 -0.855 . . . . 0.0 111.439 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -140.1 55.56 1.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.759 -1.213 . . . . 0.0 110.632 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -38.22 89.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.258 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.76 -25.72 66.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.47 -0.769 . . . . 0.0 110.786 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -91.46 1.21 57.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.836 -1.165 . . . . 0.0 110.142 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.03 130.91 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 109.183 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 m -70.5 159.91 33.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.932 . . . . 0.0 109.391 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.64 -38.06 89.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.96 . . . . 0.0 109.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.9 m -64.31 -44.88 90.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.905 . . . . 0.0 109.425 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 m -63.48 -39.1 93.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.351 -0.843 . . . . 0.0 109.386 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.4 m -61.71 -39.59 92.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.0 109.62 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.68 -41.19 81.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.288 -0.882 . . . . 0.0 109.587 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.99 -40.83 97.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.376 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.05 -41.61 90.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.391 -0.818 . . . . 0.0 109.74 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.41 -38.36 86.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.467 -0.771 . . . . 0.0 109.446 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.64 -40.65 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.653 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.5 mtt180 -61.18 -42.58 98.82 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.293 -0.879 . . . . 0.0 109.27 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.92 -40.88 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.7 mmtt -61.09 -39.65 90.74 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.398 0.618 . . . . 0.0 109.862 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.422 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 48.6 t80 -57.86 -43.71 86.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.491 -0.756 . . . . 0.0 109.149 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -40.59 93.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 108.943 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.69 -43.8 90.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.416 -0.803 . . . . 0.0 109.631 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.4 -50.46 51.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 111.03 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.445 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 m-85 -66.56 -35.6 80.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 110.38 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.451 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.9 tp -59.89 -36.01 76.04 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 108.518 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.584 ' HG ' ' N ' ' A' ' 160' ' ' LYS . 59.2 p -69.04 -44.32 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 110.048 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.584 ' N ' ' HG ' ' A' ' 159' ' ' SER . 50.4 mtpt -63.19 -37.41 87.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.772 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.26 -36.79 78.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.22 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.6 -26.66 65.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.331 -0.855 . . . . 0.0 109.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.59 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 27.6 mttt -77.97 -16.27 58.28 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.077 -1.014 . . . . 0.0 109.43 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.23 10.21 80.67 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.239 -1.945 . . . . 0.0 108.239 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.52 -27.75 60.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.549 -0.971 . . . . 0.0 109.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -101.78 126.39 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.992 . . . . 0.0 108.829 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.512 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.609 ' C ' ' H ' ' B' ' 130' ' ' ILE . 72.8 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.585 ' C ' HD21 ' B' ' 129' ' ' ASN . 0.3 OUTLIER -73.58 20.25 0.1 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.609 ' H ' ' C ' ' B' ' 128' ' ' ILE . 19.4 tt -63.23 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 89.0 m-20 -71.94 -41.46 67.79 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.829 0.823 . . . . 0.0 108.785 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -66.97 -41.34 87.03 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.468 0.651 . . . . 0.0 109.953 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.444 -0.785 . . . . 0.0 110.26 -179.089 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.728 0.775 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -56.85 -33.68 67.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.121 -0.987 . . . . 0.0 109.212 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.21 -37.6 77.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.197 -0.939 . . . . 0.0 108.96 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.75 -34.01 70.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.356 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.8 -29.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.006 -1.059 . . . . 0.0 108.324 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.47 -38.34 74.34 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.6 mt-30 -59.44 -35.95 75.0 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.21 -33.35 84.0 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.0 -38.83 71.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.053 -1.263 . . . . 0.0 107.85 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.586 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.87 -34.17 74.2 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.4 tt -54.86 -45.29 74.55 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.4 -40.0 92.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.445 -0.784 . . . . 0.0 109.269 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.559 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 2.8 tm-20 -62.01 -39.05 90.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 109.753 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 30.7 t -64.47 -50.76 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.87 . . . . 0.0 110.357 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.09 -33.86 76.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.125 -0.984 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -64.66 -43.3 94.05 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.31 -0.869 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.559 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 55.7 mtt -69.75 -39.81 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.975 . . . . 0.0 109.875 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.9 -43.5 98.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.674 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.581 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.3 t-20 -176.35 102.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 23.9 m120 -57.94 -35.9 71.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.166 -0.959 . . . . 0.0 109.088 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 37.9 p -84.97 5.19 30.2 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . 0.581 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.46 97.77 0.06 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -125.6 151.47 46.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.558 -0.966 . . . . 0.0 109.112 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.0 mp -56.53 -34.26 66.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.504 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.23 -32.51 70.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.362 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -75.48 -27.29 58.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.458 -0.776 . . . . 0.0 110.005 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -99.45 131.04 47.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 108.766 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 167' ' ' SER . . . . . 0.49 ' O ' ' OG ' ' B' ' 167' ' ' SER . 17.1 p -58.55 72.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.414 -0.804 . . . . 0.0 110.355 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -62.8 -36.55 83.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -0.943 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.58 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.058 -1.026 . . . . 0.0 111.78 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . 0.402 ' OE1' ' C ' ' B' ' 170' ' ' GLU . 0.5 OUTLIER -72.84 -37.21 67.5 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.741 -1.224 . . . . 0.0 109.672 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.3 -38.43 90.18 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.615 -0.678 . . . . 0.0 109.937 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.3 m-20 -62.51 -43.31 99.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.365 -0.834 . . . . 0.0 110.704 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.76 89.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.091 -1.005 . . . . 0.0 109.929 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.59 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -65.03 -36.98 86.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.104 -0.998 . . . . 0.0 110.15 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 20.5 tp -66.66 -35.08 79.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.976 -1.078 . . . . 0.0 110.674 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.479 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 21.9 m-20 -61.52 -37.02 82.21 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.338 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.69 -43.4 69.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.095 -1.003 . . . . 0.0 108.335 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.48 -35.08 79.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.403 -0.811 . . . . 0.0 109.673 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.63 -40.09 71.69 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.064 -1.022 . . . . 0.0 108.41 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -61.99 -33.75 74.89 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.29 -40.6 94.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.457 -0.777 . . . . 0.0 110.751 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -93.24 -17.47 23.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.3 -1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.25 -179.612 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.42 -36.7 78.77 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.202 -0.936 . . . . 0.0 109.464 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.89 94.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.268 -0.895 . . . . 0.0 109.422 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.74 -48.19 67.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.968 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.458 HH12 ' C ' ' A' ' 122' ' ' TRP . 48.5 ttt180 -60.99 -40.98 95.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.942 . . . . 0.0 109.252 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -42.08 90.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.6 t -66.16 -47.83 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.69 84.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.304 -0.873 . . . . 0.0 108.873 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -61.39 -38.79 88.33 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.53 83.44 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.73 -31.86 72.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.0 109.365 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -60.77 -41.44 95.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.647 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -63.95 -38.27 90.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.744 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.99 -39.06 88.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 0.0 109.076 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -60.45 -33.3 72.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -3.66 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.309 -0.87 . . . . 0.0 109.968 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.82 4.75 63.28 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.1 mt -99.1 50.59 0.95 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 0.0 109.363 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.66 -31.78 57.99 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.9 mt -57.47 -42.82 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -1.22 . . . . 0.0 109.458 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.12 -48.07 82.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 120.93 -1.106 . . . . 0.0 108.775 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.68 81.14 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.73 -47.87 83.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -1.13 . . . . 0.0 109.678 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.5 m-85 -67.37 -36.72 81.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.01 . . . . 0.0 110.11 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.19 -41.28 98.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.093 -1.005 . . . . 0.0 109.779 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.32 -40.22 95.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.14 -39.65 93.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.401 -0.812 . . . . 0.0 109.177 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.81 -47.3 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.85 . . . . 0.0 110.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.69 81.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 109.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.37 -50.86 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.06 -1.025 . . . . 0.0 109.625 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.6 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -67.32 -30.37 70.19 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.34 -45.03 94.89 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.254 0.549 . . . . 0.0 109.559 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.06 -41.77 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 0.0 109.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -0.793 . . . . 0.0 109.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -67.22 -16.79 64.5 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.01 122.62 30.3 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.474 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -35.59 80.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -86.02 125.78 33.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -137.31 143.91 42.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.415 ' H ' ' HB2' ' A' ' 45' ' ' MET . 95.3 p -114.08 163.19 15.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -53.44 -35.41 60.45 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.959 -1.088 . . . . 0.0 108.692 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.01 -45.18 67.8 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.415 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.7 mtp -68.99 -40.72 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.027 -1.046 . . . . 0.0 109.925 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 m -62.72 -43.63 98.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 0.0 109.518 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.32 75.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.805 . . . . 0.0 109.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.36 -40.7 97.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.71 87.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.003 . . . . 0.0 109.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -61.45 -45.81 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -0.824 . . . . 0.0 110.536 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.02 -37.78 74.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.2 -37.07 86.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.259 -0.9 . . . . 0.0 110.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -58.64 -38.86 78.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.999 -1.063 . . . . 0.0 109.396 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.23 -43.51 98.65 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 m -66.44 -46.46 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.79 -49.4 84.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.405 -0.809 . . . . 0.0 109.569 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.68 -40.09 95.95 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.11 -0.994 . . . . 0.0 109.181 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.45 -41.43 80.27 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.679 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.3 t80 -63.73 -48.45 77.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.438 -0.789 . . . . 0.0 109.696 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 58.1 tttt -64.08 -41.0 97.47 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.371 -0.83 . . . . 0.0 109.304 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -63.22 -34.21 77.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 108.623 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -59.67 -31.76 69.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.538 -0.727 . . . . 0.0 109.207 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 71.6 mt -122.97 11.55 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.585 -0.697 . . . . 0.0 109.756 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.0 -34.11 22.8 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.29 15.81 52.24 Favored Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.119 -1.224 . . . . 0.0 110.497 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.77 -87.77 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.862 -1.376 . . . . 0.0 108.528 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -69.75 -34.41 73.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.89 -30.4 71.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.604 -0.685 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.55 80.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.212 -0.93 . . . . 0.0 109.262 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -43.26 86.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.95 -39.52 87.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.712 0.768 . . . . 0.0 109.06 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.48 ' O ' ' OG ' ' A' ' 72' ' ' SER . 10.1 p -163.74 99.19 0.89 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -99.59 4.88 46.0 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.266 -0.896 . . . . 0.0 109.569 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -93.89 -76.14 0.49 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.2 p -66.96 -37.22 83.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.34 -0.85 . . . . 0.0 111.166 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.29 -35.64 78.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.535 -1.353 . . . . 0.0 109.725 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.578 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.2 t60 -60.14 -45.48 92.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.247 -0.908 . . . . 0.0 109.718 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -65.51 -42.22 92.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.109 -0.994 . . . . 0.0 108.511 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.463 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.9 ttt -58.75 -36.43 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.39 -32.68 71.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -56.8 -37.75 71.58 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.505 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 62.3 mt -60.43 -41.31 93.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.508 -0.745 . . . . 0.0 109.595 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -85.44 -45.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.231 -0.918 . . . . 0.0 111.336 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.478 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -72.91 -46.51 52.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.287 -0.883 . . . . 0.0 111.209 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.37 100.71 9.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.955 -1.091 . . . . 0.0 109.606 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.51 -36.86 85.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.376 -0.827 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HG3' HD22 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.72 -47.4 83.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 110.291 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.982 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.89 89.03 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -45.64 72.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.428 -0.795 . . . . 0.0 109.698 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.3 -44.23 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.595 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.85 -41.95 95.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.15 -40.96 97.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 108.812 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.61 -41.26 96.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 108.919 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.5 ' ND2' ' CD1' ' B' ' 144' ' ' ILE . 2.1 m120 -60.65 -42.33 96.75 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.324 -0.86 . . . . 0.0 109.444 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -66.3 -49.05 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.31 -0.869 . . . . 0.0 109.055 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.9 m -62.05 -44.66 96.21 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.401 -0.812 . . . . 0.0 109.221 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 90.4 mmm -62.65 -38.54 90.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.163 -0.96 . . . . 0.0 109.392 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 m -62.69 -46.21 89.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.105 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.63 ' CD2' ' HG ' ' A' ' 124' ' ' CYS . 52.1 tp -67.18 -43.31 82.51 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.03 -43.06 99.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.546 -0.721 . . . . 0.0 109.199 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -62.67 -39.05 92.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.746 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.14 -42.25 99.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.832 . . . . 0.0 110.034 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.6 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 16.2 mmtt -64.76 -45.43 86.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.043 -1.035 . . . . 0.0 109.437 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.75 -36.58 80.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.177 -0.952 . . . . 0.0 108.644 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 31.6 tttp -60.85 -46.22 91.44 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.11 -36.77 84.7 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -58.97 -31.95 69.21 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.657 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 68.1 tttt -58.85 -34.84 72.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.611 -0.681 . . . . 0.0 109.942 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -175.36 -26.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.093 -1.004 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -47.45 158.04 0.62 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.48 141.12 85.46 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.972 2.448 . . . . 0.0 112.692 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -106.01 135.72 46.97 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -152.09 174.31 13.85 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.955 -1.091 . . . . 0.0 110.58 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.63 -39.84 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.673 -0.642 . . . . 0.0 109.369 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 61.5 mtt -57.75 -39.16 76.73 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.846 -1.159 . . . . 0.0 108.702 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.48 -40.16 93.53 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.594 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 82.8 tttt -62.24 -48.8 78.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.542 0.687 . . . . 0.0 109.758 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -68.96 -40.95 78.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.436 -0.79 . . . . 0.0 109.572 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.6 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -62.74 -37.77 87.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.806 . . . . 0.0 109.5 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.71 -42.42 98.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.467 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 47.7 m95 -60.84 -37.05 80.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 108.865 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.7 94.86 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.545 -0.722 . . . . 0.0 109.555 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.63 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 33.9 m -62.67 -39.55 94.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.8 mt -58.11 -42.48 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.837 . . . . 0.0 109.974 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.65 -40.15 93.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.234 -0.916 . . . . 0.0 110.476 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.04 -43.81 91.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.005 -1.059 . . . . 0.0 110.106 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 m -61.71 -36.03 79.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.117 -0.989 . . . . 0.0 109.842 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -65.21 -41.59 94.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 0.0 109.822 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.559 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.6 mt -59.43 -44.93 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.096 -1.003 . . . . 0.0 110.326 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.13 -41.63 85.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.001 . . . . 0.0 110.34 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.6 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 19.1 t60 -70.25 -46.17 64.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 111.016 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.87 -34.22 75.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.251 -0.906 . . . . 0.0 111.292 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -139.81 53.31 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 110.71 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -38.14 89.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 109.032 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.21 -25.32 66.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.439 -0.788 . . . . 0.0 110.642 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.403 HD22 ' HG3' ' A' ' 87' ' ' GLU . 51.8 t30 -91.48 1.44 57.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.885 -1.134 . . . . 0.0 110.315 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.5 mt -117.34 129.98 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.077 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.57 159.85 33.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.515 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.15 -44.81 94.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.38 -38.58 91.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.344 -0.848 . . . . 0.0 109.404 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.7 m -61.63 -40.35 94.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.43 -0.793 . . . . 0.0 109.694 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.93 -40.0 79.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 109.596 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -62.71 -40.87 98.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.348 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.9 -41.76 91.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.354 -0.841 . . . . 0.0 109.662 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.4 -38.31 86.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.517 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -62.46 -41.27 98.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.907 . . . . 0.0 109.056 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.6 mtt180 -61.67 -42.4 98.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.214 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.04 -41.76 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.322 -0.861 . . . . 0.0 108.795 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.583 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.5 mmtt -61.09 -39.07 88.54 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.551 -0.718 . . . . 0.0 109.793 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -57.31 -43.68 83.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.389 -0.819 . . . . 0.0 108.901 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.16 -41.4 94.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.0 108.823 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . 0.459 ' NZ ' ' OD1' ' B' ' 176' ' ' ASP . 20.9 tttt -58.48 -43.89 89.12 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.319 -0.863 . . . . 0.0 109.63 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.6 mt -69.49 -50.51 50.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.451 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 m-85 -66.93 -35.97 81.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.928 . . . . 0.0 110.484 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.467 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.4 tp -59.85 -37.18 78.54 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.9 m -66.27 -46.16 77.98 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.35 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.4 -38.07 85.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.616 -0.678 . . . . 0.0 109.717 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.83 -41.5 97.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.81 61.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 109.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.488 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.8 mtpt -83.63 -2.54 56.33 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.272 -0.892 . . . . 0.0 109.806 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.46 12.5 84.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -75.01 -29.19 60.79 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.26 -1.141 . . . . 0.0 109.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.0 mm -106.71 133.91 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.183 -0.948 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.978 -1.457 . . . . 0.0 109.55 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.622 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.622 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 16.9 m120 -75.48 19.93 0.17 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.572 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.4 tt -65.12 -42.2 93.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.49 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 89.1 m-20 -72.03 -41.01 68.01 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.402 ' HD2' HD21 ' B' ' 129' ' ' ASN . 76.2 mttt -67.0 -42.23 85.36 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.386 0.612 . . . . 0.0 109.817 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.0 110.185 -179.055 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.82 -33.23 68.39 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.91 -36.64 75.04 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 48.3 mt -58.04 -31.94 67.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.5 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 41.9 mm -67.36 -32.0 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.62 -38.55 69.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.12 -36.24 74.85 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.48 81.06 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.92 -39.2 71.32 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.979 -1.306 . . . . 0.0 107.883 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 76.9 tt0 -61.01 -33.85 73.92 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.0 tt -55.05 -44.15 74.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.52 -40.05 90.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 109.168 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.568 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.6 tm-20 -62.26 -37.19 84.5 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.489 -0.757 . . . . 0.0 109.701 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.72 -50.14 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 110.476 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.24 -33.4 75.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.155 -0.965 . . . . 0.0 109.269 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.0 109.625 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.657 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.6 mtp -66.72 -41.01 88.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.983 -1.073 . . . . 0.0 110.001 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.82 -46.3 90.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.8 t-20 -177.55 104.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 87.9 m-20 -57.83 -35.97 71.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 108.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 39.4 p -86.13 6.59 28.52 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . 0.592 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.45 97.8 0.06 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -121.63 153.44 38.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.598 -0.943 . . . . 0.0 108.993 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.411 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.7 mp -55.96 -34.39 65.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.441 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.46 -33.28 71.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.226 -0.921 . . . . 0.0 109.671 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.32 -27.31 59.21 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.297 -0.877 . . . . 0.0 110.133 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.4 mt -98.2 134.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.437 -0.789 . . . . 0.0 108.996 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 94.7 p -60.35 68.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.42 -0.8 . . . . 0.0 110.261 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -63.81 -38.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.68 77.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.007 . . . . 0.0 111.176 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.35 -42.51 68.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.915 -1.116 . . . . 0.0 109.829 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.409 HD22 ' HZ1' ' A' ' 163' ' ' LYS . 81.1 mt -63.53 -38.33 90.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.691 . . . . 0.0 110.173 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.583 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.6 m-20 -60.73 -42.51 97.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.185 -0.947 . . . . 0.0 110.485 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.85 88.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.488 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.7 -38.12 83.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.213 -0.929 . . . . 0.0 110.19 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.1 tp -68.14 -37.34 80.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.142 -0.974 . . . . 0.0 110.485 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.459 ' OD1' ' NZ ' ' A' ' 155' ' ' LYS . 96.2 m-20 -62.97 -39.7 95.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.007 -1.058 . . . . 0.0 109.129 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.93 -42.94 66.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 108.362 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.67 -37.69 87.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.64 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.54 70.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.088 -1.007 . . . . 0.0 109.061 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.37 -36.86 81.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 108.942 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.432 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -67.13 -45.3 77.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 110.019 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.594 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 50.8 m-20 -72.16 -35.46 69.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.371 -0.831 . . . . 0.0 109.847 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.3 -1.577 0 O-C-N 121.529 -0.732 . . . . 0.0 109.253 -179.653 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.77 -37.7 82.72 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.174 -0.954 . . . . 0.0 109.223 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.19 98.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.0 109.251 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.82 72.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.925 . . . . 0.0 109.773 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -60.08 -42.28 94.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.29 -42.23 92.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.638 -0.664 . . . . 0.0 109.382 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.78 -47.16 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.377 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -40.6 80.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 108.913 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -62.72 -38.44 90.49 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.89 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.336 -0.853 . . . . 0.0 108.907 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.01 -32.9 73.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.398 -0.814 . . . . 0.0 109.641 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -60.77 -42.19 97.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.88 . . . . 0.0 109.914 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.05 -38.52 91.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 110.053 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.22 -38.85 88.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.014 -1.054 . . . . 0.0 109.238 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.8 -34.2 74.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.969 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.35 0.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 110.129 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.83 4.35 63.53 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.8 mt -99.62 33.49 2.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.085 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.83 8.21 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.0 mt -57.37 -42.95 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.033 -1.275 . . . . 0.0 109.009 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.49 -48.59 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.133 -0.979 . . . . 0.0 108.401 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.29 -32.57 81.28 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.684 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.3 t80 -58.54 -47.18 85.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -1.105 . . . . 0.0 109.7 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.532 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 34.6 m-85 -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 110.126 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.72 -41.1 98.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.106 -0.996 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.26 -40.19 93.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.997 . . . . 0.0 108.859 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.24 -39.89 89.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.403 -0.811 . . . . 0.0 109.244 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -64.36 -43.75 93.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.468 -0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.69 81.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.771 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.61 -50.78 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 109.613 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.58 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.9 mt-10 -67.03 -30.07 70.05 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.84 -43.63 94.51 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.02 -44.15 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.188 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.03 -35.74 81.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.573 -0.704 . . . . 0.0 109.731 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -67.79 -14.52 63.02 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.98 124.2 33.48 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.368 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.23 -35.66 80.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.235 -0.915 . . . . 0.0 109.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.58 125.71 33.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.976 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.483 ' NH1' ' OG1' ' A' ' 46' ' ' THR . 34.6 mtm105 -139.59 141.32 37.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.81 . . . . 0.0 109.594 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.8 p -114.26 162.58 16.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -53.61 -35.36 60.83 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.933 -1.104 . . . . 0.0 108.733 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.06 -43.36 71.36 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.345 -0.847 . . . . 0.0 110.024 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mtp -70.01 -40.78 75.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.902 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' NH1' ' A' ' 41' ' ' ARG . 49.9 m -61.99 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.366 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.63 74.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.75 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.17 -39.34 92.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.73 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.15 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.14 -0.975 . . . . 0.0 109.437 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -62.15 -45.83 91.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.26 -38.16 76.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.66 -37.23 86.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 109.929 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.48 -39.4 79.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.06 -1.025 . . . . 0.0 109.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.01 -42.35 99.06 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.231 -0.918 . . . . 0.0 109.639 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 m -64.6 -45.47 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 0.0 110.136 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.28 -50.21 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.083 -1.011 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.66 -38.63 91.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.76 88.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.027 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -69.04 -48.86 61.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 64' ' ' GLY . 55.0 tttt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.413 -0.804 . . . . 0.0 109.422 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -63.02 -33.87 76.34 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.18 -31.47 69.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.561 -0.712 . . . . 0.0 109.155 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 71.5 mt -123.43 10.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.542 -0.724 . . . . 0.0 109.776 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.38 -37.9 56.42 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.99 65.27 Favored Glycine 0 N--CA 1.489 2.227 0 O-C-N 121.208 -1.172 . . . . 0.0 110.208 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.47 -37.03 82.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.965 -1.314 . . . . 0.0 109.051 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.85 -29.92 1.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -31.44 72.6 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.48 77.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.798 . . . . 0.0 109.262 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.77 -42.84 89.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 108.631 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -64.52 -38.8 92.27 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.4 t -160.94 98.1 1.18 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -95.77 7.27 46.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.228 -0.92 . . . . 0.0 109.596 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -95.89 -75.66 0.52 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.17 -0.957 . . . . 0.0 109.93 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -67.39 -40.4 85.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.412 -0.805 . . . . 0.0 111.382 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 tp -70.26 -36.63 74.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.609 -1.307 . . . . 0.0 109.857 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.7 t60 -60.34 -45.13 94.54 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.57 -41.57 92.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.161 -0.962 . . . . 0.0 108.51 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.457 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 ttt -58.21 -35.93 72.38 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.685 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.08 -32.39 70.91 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.685 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 27.7 m -56.93 -37.71 71.89 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.502 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 70.2 mt -60.21 -40.2 89.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.498 -0.751 . . . . 0.0 109.521 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -85.96 -45.61 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.181 -0.95 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 91.1 m-70 -72.01 -46.55 56.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 111.066 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -80.54 100.79 8.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.831 -1.168 . . . . 0.0 109.421 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.48 -37.46 87.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 0.0 110.387 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.55 -47.49 81.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 110.347 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.03 -41.77 90.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.11 -0.994 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.532 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.61 -37.56 87.79 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.322 -0.861 . . . . 0.0 108.768 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HE2' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.74 -45.3 66.95 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.465 -0.772 . . . . 0.0 109.63 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.75 -46.21 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.95 . . . . 0.0 109.712 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.12 -43.94 93.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.06 -1.025 . . . . 0.0 109.309 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tpt -62.73 -43.88 97.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -65.41 -42.94 92.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.49 HD21 ' N ' ' A' ' 95' ' ' ASN . 2.2 m120 -62.85 -40.61 98.0 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.409 -0.807 . . . . 0.0 109.097 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.09 -49.97 65.7 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.441 -0.787 . . . . 0.0 109.066 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.8 m -62.91 -44.27 96.54 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.389 -0.82 . . . . 0.0 109.083 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.3 mmm -62.1 -38.13 87.73 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 109.3 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -62.21 -46.57 88.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 109.104 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 55.1 tp -65.32 -43.44 91.0 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.99 -42.24 98.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.421 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.5 t-20 -61.78 -38.66 88.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.66 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.69 -42.86 99.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.0 109.876 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 32.0 mmtp -64.32 -45.11 89.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.5 -36.7 84.62 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 26.2 tttp -61.37 -46.37 90.47 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.84 -32.71 67.89 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 50.5 tttt -58.75 -40.66 84.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.765 -0.585 . . . . 0.0 110.113 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -169.34 -22.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.252 -0.905 . . . . 0.0 110.552 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.2 156.71 1.48 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.92 139.4 67.79 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.837 2.358 . . . . 0.0 112.704 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 167' ' ' GLY . 2.5 m-90 -106.17 135.58 47.39 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -153.87 173.23 16.19 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.912 -1.118 . . . . 0.0 110.636 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.42 -39.32 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.25 -42.53 77.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.631 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.9 tp -62.28 -36.95 83.68 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 108.975 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HZ2' ' CG ' ' B' ' 182' ' ' ASP . 87.3 tttt -56.84 -47.57 80.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.494 -0.754 . . . . 0.0 110.055 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.857 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.568 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 5.2 t -63.23 -38.44 91.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.249 -0.907 . . . . 0.0 110.314 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.08 -39.33 89.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.911 -1.118 . . . . 0.0 109.069 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.461 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 54.0 m95 -61.64 -37.24 83.27 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.043 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -43.76 94.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.432 -0.793 . . . . 0.0 109.678 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.556 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 37.3 m -60.55 -39.51 88.2 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.714 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.01 -42.76 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.056 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.82 -41.13 99.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.271 -0.893 . . . . 0.0 110.325 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.48 -40.29 94.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.46 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -64.41 -43.81 93.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.071 -1.018 . . . . 0.0 110.269 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -61.08 -36.2 79.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.62 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -67.27 -44.52 79.11 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 109.687 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.602 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.1 mt -59.45 -41.93 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -0.973 . . . . 0.0 110.106 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -44.94 74.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.088 -1.008 . . . . 0.0 110.257 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.58 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.2 t60 -70.31 -43.16 70.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.398 -0.814 . . . . 0.0 111.371 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.51 -33.63 71.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.121 -0.987 . . . . 0.0 111.722 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -142.53 63.31 1.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.695 -1.253 . . . . 0.0 111.002 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -63.28 -37.7 88.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.022 . . . . 0.0 109.488 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.18 -19.56 59.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 111.379 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.409 HD21 ' HE2' ' A' ' 90' ' ' LYS . 5.6 t30 -92.26 0.24 57.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.67 -1.269 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.7 mt -116.67 129.93 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.102 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.48 159.68 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 0.0 109.586 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.35 -40.38 95.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.27 -0.894 . . . . 0.0 109.597 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.87 -44.84 91.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.89 -37.93 88.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.381 -0.825 . . . . 0.0 109.304 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.6 m -61.26 -40.08 92.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 109.648 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.79 -42.89 85.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -62.55 -39.86 94.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.33 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.79 -41.22 97.98 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.43 -0.794 . . . . 0.0 109.775 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.89 -38.76 86.8 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -62.39 -40.69 97.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.018 . . . . 0.0 108.595 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.24 -43.49 98.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 108.818 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.81 -46.0 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 16.4 mmtt -61.1 -36.92 80.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.86 -44.28 77.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.23 -43.94 80.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.261 -0.899 . . . . 0.0 108.713 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -59.35 -44.1 92.73 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.531 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.15 -49.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 120.967 -1.083 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.21 -35.8 81.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.113 -0.992 . . . . 0.0 110.932 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.461 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 27.0 tp -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.462 ' N ' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.61 -39.93 73.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.281 -0.887 . . . . 0.0 109.507 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -60.48 -39.21 86.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 109.338 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.46 -36.47 76.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 108.494 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.47 -28.7 69.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.505 -0.747 . . . . 0.0 109.399 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.458 ' HZ1' ' CD ' ' B' ' 174' ' ' GLU . 44.6 mttm -80.77 -16.03 54.87 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.16 -0.962 . . . . 0.0 109.369 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.5 11.81 79.41 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.59 -29.81 61.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.538 -0.977 . . . . 0.0 109.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.32 131.81 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.164 -0.96 . . . . 0.0 108.758 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.46 ' C ' ' CE3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.069 0 CA-C-O 118.068 -1.406 . . . . 0.0 109.709 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.57 ' C ' ' H ' ' B' ' 130' ' ' ILE . 85.8 mt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.409 HD21 ' HD2' ' B' ' 132' ' ' LYS . 12.2 m120 -75.11 19.82 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.57 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.9 tt -64.14 -41.73 93.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 90.2 m-20 -75.13 -40.81 59.5 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.733 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.409 ' HD2' HD21 ' B' ' 129' ' ' ASN . 80.5 mttt -66.15 -40.36 90.52 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.409 0.623 . . . . 0.0 110.027 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.263 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.636 0.731 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.44 -33.87 75.67 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.99 -38.29 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 108.877 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' B' ' 143' ' ' LEU . 9.8 mp -57.44 -34.14 68.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.41 ' CG1' ' ND2' ' A' ' 95' ' ' ASN . 62.4 mt -67.98 -30.39 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.84 -38.55 72.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.4 -35.85 74.74 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -32.69 82.07 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.66 -38.6 69.81 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.966 -1.314 . . . . 0.0 107.522 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 74.3 tt0 -60.55 -33.12 72.21 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.413 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.8 tt -54.24 -43.8 71.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -60.81 -40.15 91.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.433 ' C ' ' OE1' ' B' ' 152' ' ' GLU . 12.2 tm-20 -62.3 -40.0 94.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 0.0 109.601 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.85 -51.28 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.0 110.004 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.46 -32.54 73.46 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 108.99 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.18 86.78 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 0.0 108.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.8 mtp -63.32 -32.06 73.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.051 -1.031 . . . . 0.0 108.524 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.3 t-20 -77.53 3.61 13.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.513 -0.742 . . . . 0.0 109.299 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.7 t-20 85.59 101.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.73 -33.51 70.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.421 -0.799 . . . . 0.0 109.175 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' SER . . . . . 0.492 ' OG ' ' OD1' ' B' ' 158' ' ' ASN . 83.2 p -58.53 -19.05 34.34 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -57.01 102.22 0.2 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -100.84 153.33 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -1.152 . . . . 0.0 109.871 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.87 -31.78 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.418 -0.801 . . . . 0.0 109.314 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.95 -23.59 63.69 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.318 -0.864 . . . . 0.0 109.941 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.66 -22.49 58.86 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.928 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' B' ' 168' ' ' ASP . 5.6 pt -107.97 138.64 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.218 -0.926 . . . . 0.0 109.346 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 167' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' B' ' 171' ' ' LEU . 69.7 m -57.79 76.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.5 t0 -61.39 -36.38 80.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.915 . . . . 0.0 110.304 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.36 80.77 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.094 -1.004 . . . . 0.0 111.33 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' A' ' 163' ' ' LYS . 66.3 tt0 -70.69 -44.37 67.11 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.847 -1.158 . . . . 0.0 109.546 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' B' ' 167' ' ' SER . 13.2 mt -61.23 -38.64 87.38 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.731 -0.606 . . . . 0.0 109.855 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.6 m-20 -66.47 -43.74 84.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.05 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.396 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.458 ' CD ' ' HZ1' ' A' ' 163' ' ' LYS . 98.1 mt-10 -66.1 -30.41 70.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.037 -1.04 . . . . 0.0 109.855 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -66.25 -43.79 85.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -63.02 -41.3 99.52 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.012 -1.055 . . . . 0.0 109.538 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.46 61.05 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.094 -1.003 . . . . 0.0 108.924 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.75 -37.9 89.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.59 90.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 109.595 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.42 -35.94 76.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 4.1 tm-20 -67.67 -44.55 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.875 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.557 ' CG ' ' HZ2' ' A' ' 118' ' ' LYS . 28.4 m-20 -76.25 -35.39 58.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 110.195 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.266 -179.5 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.283 0.563 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.21 -38.07 82.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.43 92.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.16 95.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.905 . . . . 0.0 109.819 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 48.7 ttt-85 -59.79 -41.2 90.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.939 . . . . 0.0 109.118 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.61 -39.91 82.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.29 -46.96 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.256 -0.902 . . . . 0.0 109.011 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.54 80.14 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.525 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 91.5 m -61.57 -38.62 88.19 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.26 80.43 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.6 -31.89 71.98 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.8 -41.08 94.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.377 -0.827 . . . . 0.0 109.558 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -63.91 -38.88 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.375 -0.828 . . . . 0.0 109.751 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.2 -39.66 91.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.054 -1.029 . . . . 0.0 108.955 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.76 -32.39 71.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.446 -0.784 . . . . 0.0 109.457 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.95 -5.1 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.904 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.96 4.89 62.96 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -95.65 60.99 2.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.978 -1.307 . . . . 0.0 109.28 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.54 85.3 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.64 -43.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.321 . . . . 0.0 109.7 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.83 -49.68 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.64 81.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 88.5 t80 -58.71 -48.9 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.381 -1.07 . . . . 0.0 109.891 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 37.7 m-85 -67.31 -35.13 78.81 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.116 -0.99 . . . . 0.0 109.821 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.33 -40.85 96.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 110.166 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.45 -39.52 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.901 -1.124 . . . . 0.0 108.506 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.07 -38.79 91.94 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 65.2 t80 -64.52 -44.35 91.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.554 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.04 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 110.382 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.08 -47.9 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 0.0 110.286 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.5 mt-10 -64.29 -33.03 74.89 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.345 -0.847 . . . . 0.0 109.745 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.89 -46.94 87.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 109.876 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.43 HD12 HG22 ' A' ' 35' ' ' ILE . 82.3 mt -63.16 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.41 -0.806 . . . . 0.0 109.667 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.98 -34.43 77.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.353 -0.842 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 79.9 p -67.73 -16.5 64.17 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -78.68 125.8 29.86 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.668 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.93 -34.76 78.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.319 -0.863 . . . . 0.0 109.551 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -96.74 125.95 41.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.93 143.37 49.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.361 -0.837 . . . . 0.0 109.571 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.413 ' H ' ' HB2' ' A' ' 45' ' ' MET . 50.2 m -114.11 160.23 19.17 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.9 -34.92 57.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.924 -1.11 . . . . 0.0 108.475 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.89 -42.59 73.21 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.27 -0.894 . . . . 0.0 109.868 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.413 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -72.25 -42.78 65.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.82 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 m -63.5 -42.9 98.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.24 80.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.25 -41.21 98.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 109.624 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.47 87.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.162 -0.961 . . . . 0.0 109.333 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -61.79 -45.67 92.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.409 -0.807 . . . . 0.0 110.316 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.9 -38.76 73.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.0 -37.43 87.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.094 -1.004 . . . . 0.0 109.733 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.6 -39.96 81.89 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.062 . . . . 0.0 109.261 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.85 -43.0 99.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.269 -0.895 . . . . 0.0 109.188 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.0 m -66.72 -46.4 75.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.244 -0.91 . . . . 0.0 109.696 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -61.76 -49.44 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 0.0 109.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.1 -39.98 95.23 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.72 78.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.217 -0.927 . . . . 0.0 108.91 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.1 t80 -61.61 -47.24 86.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.464 -0.773 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' GLY . 33.3 tttt -62.81 -37.9 88.58 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.429 -0.794 . . . . 0.0 109.393 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.35 -34.99 78.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 0.0 109.238 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.27 -31.13 69.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.62 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 5.3 mt -122.82 9.48 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.457 -0.777 . . . . 0.0 109.957 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.29 -38.16 61.31 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.8 1.75 65.41 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.876 -1.367 . . . . 0.0 109.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.68 -28.63 1.4 Allowed 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.64 -30.97 71.76 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.97 83.0 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.422 -0.799 . . . . 0.0 109.277 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.64 -44.49 77.22 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.32 -39.23 92.16 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -159.97 97.05 1.26 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.59 7.55 46.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.639 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.7 -76.59 0.49 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 109.954 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.9 p -67.89 -39.43 83.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.381 -0.824 . . . . 0.0 111.43 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.08 -36.99 72.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.581 -1.324 . . . . 0.0 109.967 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 85.0 t60 -60.43 -45.16 94.63 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.2 -0.938 . . . . 0.0 109.639 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.89 -41.29 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.459 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.5 ttt -58.34 -35.86 72.55 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.07 -32.81 71.29 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.597 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.1 m -56.89 -37.02 70.79 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.492 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 67.6 mt -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 109.109 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -85.12 -45.85 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.178 -0.951 . . . . 0.0 110.976 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 92.3 m-70 -72.48 -47.34 49.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 111.055 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -83.6 99.87 10.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.905 -1.122 . . . . 0.0 109.899 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.9 mp0 -64.91 -35.73 82.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.426 -0.797 . . . . 0.0 110.426 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.89 -48.42 81.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.124 -0.985 . . . . 0.0 110.395 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -67.14 -40.49 86.75 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.768 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.418 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -62.22 -37.61 86.0 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -46.77 67.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.547 -0.72 . . . . 0.0 109.487 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.3 -47.3 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.64 -43.83 97.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.35 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.83 -43.75 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -65.16 -41.63 94.49 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.484 -0.76 . . . . 0.0 109.39 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.17 -49.32 67.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.294 -0.879 . . . . 0.0 108.958 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.1 m -61.72 -44.64 96.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.416 -0.803 . . . . 0.0 109.113 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.4 -39.72 94.16 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.25 -0.906 . . . . 0.0 109.234 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.6 m -63.88 -46.33 85.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.364 -0.835 . . . . 0.0 109.039 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.515 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 54.4 tp -66.19 -45.19 81.67 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -61.65 -43.42 98.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.569 -0.707 . . . . 0.0 109.415 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.3 t-20 -62.29 -37.9 87.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.335 -0.853 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -62.77 -42.62 99.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.495 ' HZ2' ' CB ' ' A' ' 120' ' ' SER . 51.8 mmtt -64.19 -44.93 90.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.031 -1.043 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.01 -36.79 84.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 0.0 108.432 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.579 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.0 tttp -61.03 -46.15 91.9 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.77 -36.77 84.17 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.442 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.99 -32.92 68.35 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.8 tttt -59.08 -41.42 87.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.766 -0.584 . . . . 0.0 109.93 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.2 m-20 -166.97 -4.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -67.21 157.14 51.77 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.68 138.23 63.15 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.765 2.31 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -106.0 135.29 47.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.065 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -154.88 172.21 18.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.06 -1.025 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.66 -38.82 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.721 -0.612 . . . . 0.0 109.457 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.64 -42.75 79.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.071 -1.018 . . . . 0.0 108.992 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.51 -35.92 80.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.253 -0.904 . . . . 0.0 108.917 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' HZ3' ' CG ' ' B' ' 182' ' ' ASP . 85.2 tttt -57.23 -47.01 82.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 110.091 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -66.09 -40.57 90.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.395 -0.816 . . . . 0.0 109.894 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.495 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 9.0 m -61.94 -38.95 90.38 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.435 -0.791 . . . . 0.0 109.945 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.6 -42.65 99.18 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.119 -0.988 . . . . 0.0 109.21 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.476 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 47.1 m95 -62.65 -37.91 88.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 108.651 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.467 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.11 -40.1 94.06 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.66 -0.65 . . . . 0.0 109.46 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.515 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 63.2 m -63.86 -40.12 95.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.57 -42.15 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.895 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.78 -40.01 86.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 0.0 109.935 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.51 -40.08 95.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.427 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.79 -43.82 91.98 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.093 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -61.15 -36.61 80.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.73 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.656 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 84.2 m -65.08 -43.01 93.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.209 -0.932 . . . . 0.0 109.896 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 131' ' ' ILE . 97.2 mt -59.2 -43.92 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 110.087 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.69 -44.49 73.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.958 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.592 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.1 t60 -69.46 -45.67 68.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.505 -0.747 . . . . 0.0 110.983 -179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -136.69 60.06 1.67 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.849 -1.157 . . . . 0.0 110.757 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -62.8 -36.48 83.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.0 109.674 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.67 -23.72 59.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.364 -0.835 . . . . 0.0 111.473 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -92.35 0.09 57.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.666 -1.271 . . . . 0.0 110.145 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.03 125.96 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.506 -0.746 . . . . 0.0 109.187 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.467 ' O ' ' OG1' ' A' ' 144' ' ' THR . 49.7 m -71.14 159.59 34.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 109.725 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.61 -40.11 92.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.0 m -65.05 -46.3 81.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.913 . . . . 0.0 109.442 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.7 p -66.57 -31.97 73.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 0.0 108.911 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 140' ' ' SER . 47.1 m -62.35 -41.02 98.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.468 -0.77 . . . . 0.0 109.039 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.01 -37.97 78.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.482 -0.761 . . . . 0.0 109.318 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 t -61.46 -42.83 99.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 0.0 109.233 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.88 -41.49 91.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.367 -0.833 . . . . 0.0 109.527 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.42 -36.87 81.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -39.99 94.59 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.274 -0.891 . . . . 0.0 109.006 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -61.22 -42.39 98.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.0 109.189 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.96 -40.66 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.333 -0.854 . . . . 0.0 108.826 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.6 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.2 mmtt -61.09 -40.11 92.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.59 -0.694 . . . . 0.0 109.895 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.562 ' HH ' ' CD1' ' B' ' 154' ' ' LEU . 40.9 t80 -57.45 -43.66 84.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.96 -41.23 95.65 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -58.71 -43.87 90.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.425 -0.797 . . . . 0.0 109.649 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.47 -50.6 49.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.442 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.2 m-85 -66.99 -35.72 80.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 110.35 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.476 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 m -65.4 -45.37 84.26 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.492 -0.755 . . . . 0.0 109.207 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.66 -38.95 89.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.556 -0.715 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.82 -41.56 97.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.495 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.64 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.794 . . . . 0.0 109.69 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.3 mtpt -84.05 -3.97 58.43 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.332 -0.855 . . . . 0.0 109.824 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.72 12.2 84.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -74.99 -28.63 60.62 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.279 -1.13 . . . . 0.0 109.896 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.4 mm -106.52 132.92 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.0 109.234 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 CA-C-O 118.018 -1.434 . . . . 0.0 109.586 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.573 ' C ' ' H ' ' B' ' 130' ' ' ILE . 70.8 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -76.28 20.13 0.22 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.573 ' H ' ' C ' ' B' ' 128' ' ' ILE . 21.1 tt -63.45 -42.83 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.51 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.7 m-20 -75.13 -41.07 59.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.504 -0.878 . . . . 0.0 108.844 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -65.73 -41.09 92.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.533 0.683 . . . . 0.0 109.652 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.462 -0.774 . . . . 0.0 109.646 -179.528 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.598 0.713 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.6 mm? -63.77 -36.48 84.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.158 -0.964 . . . . 0.0 108.773 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.183 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.8 -36.22 71.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.014 -1.054 . . . . 0.0 108.662 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.3 mt -68.49 -31.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.948 -1.095 . . . . 0.0 108.294 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.69 -37.88 77.03 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . 0.522 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.43 -35.5 74.15 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.32 -34.36 87.91 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.245 -1.942 . . . . 0.0 108.245 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -56.12 -38.86 71.35 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.965 -1.315 . . . . 0.0 107.814 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.579 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.54 -33.7 73.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.435 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.1 tt -54.99 -44.98 74.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.8 -40.54 95.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.173 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -62.5 -39.23 92.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.58 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 34.3 t -64.44 -50.63 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.889 . . . . 0.0 110.287 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . 0.562 ' CD1' ' HH ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.83 -33.36 75.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.137 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.01 95.9 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.397 -0.814 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.0 mtp -64.62 -38.84 92.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.075 -1.016 . . . . 0.0 109.45 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.4 t-20 -60.87 -37.95 83.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.366 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.81 109.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.504 -0.748 . . . . 0.0 109.028 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.89 -35.12 70.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 46.9 p -82.61 1.97 35.58 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.62 97.94 0.06 OUTLIER Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -121.69 154.78 36.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.559 -0.965 . . . . 0.0 109.08 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.444 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.8 mp -54.48 -33.4 59.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.181 -0.95 . . . . 0.0 109.339 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.33 -33.02 70.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.325 -0.859 . . . . 0.0 109.575 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.4 -23.61 57.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.657 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 41.2 mt -101.77 134.79 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.202 -0.936 . . . . 0.0 108.92 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 20.5 t -60.09 69.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -64.56 -38.08 89.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 110.62 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.81 77.21 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.11 -0.994 . . . . 0.0 111.253 -178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -43.0 67.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.899 -1.126 . . . . 0.0 109.808 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.405 HD23 ' HZ2' ' A' ' 163' ' ' LYS . 83.2 mt -63.19 -38.28 90.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.527 -0.733 . . . . 0.0 110.184 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.6 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.8 m-20 -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.13 -0.981 . . . . 0.0 110.477 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.36 85.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.105 -0.997 . . . . 0.0 109.862 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -66.07 -37.35 85.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 110.119 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.62 -36.18 81.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.999 -1.063 . . . . 0.0 110.524 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.034 -1.041 . . . . 0.0 108.436 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.79 -41.55 71.5 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.1 -37.81 84.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.166 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.26 -42.44 77.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.106 -0.996 . . . . 0.0 109.136 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.02 -38.68 86.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.348 -0.845 . . . . 0.0 109.043 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.04 -43.14 79.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.408 -0.808 . . . . 0.0 109.333 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.579 ' CG ' ' HZ3' ' A' ' 118' ' ' LYS . 35.5 m-20 -73.2 -33.42 65.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.475 -0.765 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.52 -0.738 . . . . 0.0 109.223 -179.422 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.44 -36.69 78.82 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.215 -0.928 . . . . 0.0 109.376 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.5 92.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.391 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.29 91.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.699 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttt85 -60.13 -42.68 95.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -42.14 92.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.22 -46.3 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 0.0 109.2 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.51 82.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 108.971 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -61.77 -38.56 88.49 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.99 82.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.1 -31.49 71.17 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.466 -0.771 . . . . 0.0 109.095 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.47 -40.24 90.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.407 -0.808 . . . . 0.0 109.116 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -63.72 -36.74 84.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.398 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.71 -41.78 95.9 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.111 -0.993 . . . . 0.0 108.801 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -60.1 -30.4 69.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG11 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.43 -10.64 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.469 -0.769 . . . . 0.0 109.666 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.14 4.75 62.75 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' H ' HG11 ' A' ' 18' ' ' VAL . 79.6 mt -96.94 60.33 1.73 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.236 . . . . 0.0 109.181 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.19 78.44 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.73 -43.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.299 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.56 -49.72 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.952 -1.093 . . . . 0.0 108.68 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.87 -32.46 79.69 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.2 t80 -58.86 -48.46 81.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.404 -1.056 . . . . 0.0 109.832 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.7 m-85 -67.51 -36.25 80.69 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.107 -0.995 . . . . 0.0 110.207 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.51 -40.21 96.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.07 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.1 -39.91 90.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.462 -0.774 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.04 -45.7 87.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.816 . . . . 0.0 110.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.301 -0.874 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.04 -51.03 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.98 -1.075 . . . . 0.0 109.883 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.6 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -67.06 -30.31 70.33 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.24 -43.45 96.06 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 35' ' ' ILE . 86.5 mt -65.69 -46.36 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.355 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.83 -36.13 82.9 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.544 -0.723 . . . . 0.0 109.704 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.5 p -67.85 -14.61 63.1 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -89.43 124.93 34.92 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.357 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.37 -35.17 78.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -83.02 125.64 31.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.991 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -145.69 142.47 29.03 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.842 . . . . 0.0 109.587 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.3 t -114.17 158.41 21.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.83 -35.24 56.86 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.195 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.5 -42.24 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.399 -0.813 . . . . 0.0 109.54 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.5 tpt -69.69 -42.61 73.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.104 -0.997 . . . . 0.0 109.555 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.8 m -61.32 -41.7 97.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.469 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.95 77.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.756 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.25 -39.45 92.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.0 109.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.65 92.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.56 -45.97 91.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.409 -0.807 . . . . 0.0 110.411 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.39 -37.68 75.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.483 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.47 -37.07 85.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.831 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.48 -38.94 78.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -60.91 -41.07 95.42 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.248 -0.908 . . . . 0.0 109.038 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -66.88 -44.64 80.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.75 -51.2 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.95 -38.18 87.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.78 85.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.917 . . . . 0.0 109.078 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -68.04 -48.95 64.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.6 tttt -64.32 -39.8 94.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.127 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -62.87 -33.79 76.01 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.88 -31.17 68.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 76.1 mt -124.77 9.98 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.531 -0.73 . . . . 0.0 109.917 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.97 -37.23 44.39 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.25 0.91 65.06 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.07 -37.93 75.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.418 . . . . 0.0 108.691 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.92 -29.77 0.83 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.86 -31.27 72.4 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -60.05 -36.07 76.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.333 -0.855 . . . . 0.0 109.221 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -39.15 90.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.291 -0.881 . . . . 0.0 109.344 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -58.58 -40.86 84.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.471 -0.768 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.588 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -126.49 -62.93 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.528 -0.732 . . . . 0.0 109.073 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 68.03 -20.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.522 -0.736 . . . . 0.0 109.912 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.588 ' H ' ' C ' ' A' ' 72' ' ' SER . 24.3 mttm -91.05 -80.85 0.33 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.054 -1.029 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.9 p -68.1 -34.47 76.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.848 . . . . 0.0 110.548 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.76 -37.29 81.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.748 -1.22 . . . . 0.0 109.667 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.0 t60 -60.43 -45.44 93.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.221 -0.925 . . . . 0.0 109.534 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -66.19 -41.22 88.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.226 -0.921 . . . . 0.0 108.723 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.436 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.2 ttt -58.54 -36.3 73.66 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.69 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.19 -32.83 71.45 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.69 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 30.8 m -57.02 -38.41 73.08 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.498 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 61.3 mt -60.51 -41.05 93.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.551 -0.718 . . . . 0.0 109.814 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 93.7 mt -84.63 -45.06 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.203 -0.936 . . . . 0.0 111.464 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.482 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 94.6 m-70 -74.22 -46.53 41.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 111.164 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.55 100.13 8.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.142 . . . . 0.0 109.573 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.38 -36.71 85.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.411 ' HG3' HD22 ' A' ' 138' ' ' ASN . 84.8 tt0 -62.74 -47.63 82.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.228 -0.92 . . . . 0.0 110.314 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -65.97 -41.63 90.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.139 -0.975 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.45 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.13 -38.01 89.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.372 -0.83 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -44.45 70.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 109.579 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.64 -41.23 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.247 -0.908 . . . . 0.0 109.778 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -65.42 -45.06 85.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.975 -1.078 . . . . 0.0 109.526 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.252 -0.905 . . . . 0.0 108.795 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -42.63 94.39 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.486 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.1 m120 -63.14 -41.44 99.29 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.285 -0.884 . . . . 0.0 109.139 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -65.66 -49.52 68.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.315 -0.866 . . . . 0.0 108.896 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.7 m -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.5 mmm -63.63 -39.39 94.22 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.296 -0.878 . . . . 0.0 109.242 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 27.7 m -63.52 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.396 -0.815 . . . . 0.0 109.166 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 60.0 tp -65.59 -44.99 84.91 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -60.63 -41.45 94.92 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.62 -0.675 . . . . 0.0 109.514 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.14 -39.0 88.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 110.16 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.2 -40.08 95.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 110.044 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.589 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 28.3 mmtt -64.74 -45.49 86.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 109.44 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.64 -36.74 81.34 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.0 tttp -61.06 -46.31 91.19 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.8 mt-30 -63.61 -36.82 85.07 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 9.3 tp -58.15 -32.57 68.31 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.665 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 73.0 tttt -59.16 -41.63 88.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.778 -0.576 . . . . 0.0 109.87 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.6 m-20 -167.05 -5.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.235 -0.916 . . . . 0.0 111.094 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.62 157.28 50.52 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.27 137.91 63.5 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.78 2.32 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.07 135.66 47.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.428 -0.795 . . . . 0.0 109.019 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -155.27 173.11 17.09 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.056 -1.027 . . . . 0.0 110.385 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.62 -38.72 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.716 -0.615 . . . . 0.0 109.354 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.16 -42.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.892 -1.13 . . . . 0.0 108.773 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.45 -36.15 81.51 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.298 -0.876 . . . . 0.0 108.98 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -57.15 -47.61 80.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.0 109.858 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.21 -39.08 86.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.462 -0.773 . . . . 0.0 109.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.589 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.9 t -61.99 -39.77 93.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 0.0 109.944 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.75 -40.1 93.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -0.975 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.467 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 52.7 m95 -61.95 -37.45 84.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.41 -0.807 . . . . 0.0 109.396 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.92 94.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.387 -0.821 . . . . 0.0 109.7 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.6 m -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.273 -0.892 . . . . 0.0 109.695 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.5 -42.02 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.865 . . . . 0.0 110.019 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.0 -41.19 97.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.0 110.136 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.03 -38.74 89.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.328 -0.858 . . . . 0.0 110.354 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.76 -43.02 94.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.041 -1.037 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 86.5 p -65.08 -31.75 73.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.024 -1.047 . . . . 0.0 109.933 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -68.79 -42.86 76.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.607 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.22 -42.68 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.076 -1.015 . . . . 0.0 110.217 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.89 -44.99 79.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.6 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 18.9 t60 -70.13 -41.99 73.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 111.139 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.01 -33.35 71.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.191 -0.943 . . . . 0.0 111.588 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -143.08 61.88 1.4 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.275 . . . . 0.0 111.076 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -62.46 -38.48 89.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.007 -1.058 . . . . 0.0 109.153 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -69.11 -26.21 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.636 -0.665 . . . . 0.0 111.356 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.411 HD22 ' HG3' ' A' ' 87' ' ' GLU . 44.0 t30 -91.65 0.74 57.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.742 -1.224 . . . . 0.0 110.507 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.1 mt -117.57 127.33 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.131 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.63 159.99 33.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.214 -0.929 . . . . 0.0 109.492 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.19 -38.54 91.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.205 -0.934 . . . . 0.0 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.2 m -64.85 -45.04 87.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.17 -38.33 90.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.394 -0.816 . . . . 0.0 109.354 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.3 m -61.06 -39.95 91.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.451 -0.78 . . . . 0.0 109.545 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.84 -41.92 83.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -0.833 . . . . 0.0 109.69 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.81 -40.25 94.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.0 109.415 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.03 -41.34 95.33 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.348 -0.845 . . . . 0.0 109.684 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.02 -36.78 80.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.483 -0.761 . . . . 0.0 109.487 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.19 -40.6 96.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.96 . . . . 0.0 109.136 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.41 -42.25 98.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.24 -0.912 . . . . 0.0 109.02 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.31 -43.21 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.326 -0.859 . . . . 0.0 108.808 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.585 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.7 mmtt -61.16 -39.93 91.98 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.575 -0.703 . . . . 0.0 109.68 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.28 -43.78 88.17 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -40.84 91.07 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -59.03 -44.1 91.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.535 -0.728 . . . . 0.0 109.401 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 156' ' ' ILE . 88.9 mt -69.6 -49.96 54.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.154 -0.966 . . . . 0.0 110.61 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.438 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 m-85 -66.41 -34.94 79.07 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.193 -0.942 . . . . 0.0 110.886 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.467 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 36.5 tp -59.2 -35.16 73.1 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.47 ' N ' HD23 ' B' ' 175' ' ' LEU . 2.3 t -66.01 -50.08 65.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.559 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -59.42 -38.55 80.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.633 -0.667 . . . . 0.0 109.704 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.48 -41.73 92.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.23 60.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -84.12 -3.7 58.28 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.268 -0.895 . . . . 0.0 109.741 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 12.66 84.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.95 -29.09 60.83 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -1.155 . . . . 0.0 109.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.42 132.04 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.915 . . . . 0.0 109.188 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.62 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.62 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.62 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 2.8 m120 -74.88 19.96 0.13 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' B' ' 128' ' ' ILE . 19.6 tt -64.27 -41.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.485 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 90.3 m-20 -75.75 -43.08 48.44 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.93 -40.47 96.53 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.451 0.643 . . . . 0.0 109.738 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.753 . . . . 0.0 110.167 -179.204 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.466 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 76.7 mtp . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.656 0.741 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.42 -34.71 78.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.334 -0.853 . . . . 0.0 108.759 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.2 -35.94 76.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.95 -33.45 68.85 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.96 -30.8 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.135 -0.978 . . . . 0.0 108.85 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.64 -36.73 76.95 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.44 -35.76 74.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.28 83.84 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.075 -2.01 . . . . 0.0 108.075 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.83 -38.65 70.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.965 -1.315 . . . . 0.0 107.752 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.2 tt0 -60.37 -33.54 72.6 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.9 tt -54.57 -44.37 72.89 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.98 -40.22 92.6 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.358 -0.839 . . . . 0.0 109.252 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.28 -38.06 87.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.424 -0.798 . . . . 0.0 109.673 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.12 -50.31 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 110.347 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.5 -33.37 75.55 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.82 96.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.665 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.2 mtp -66.48 -39.47 88.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.144 -0.972 . . . . 0.0 109.641 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.91 -39.23 88.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.853 . . . . 0.0 109.506 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.662 ' N ' HD21 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 171.04 106.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.443 -0.786 . . . . 0.0 109.116 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.9 -36.38 72.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.115 -0.99 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.2 m -85.17 6.94 23.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.76 97.89 0.06 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -120.99 153.15 37.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.499 -1.001 . . . . 0.0 109.206 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.63 -33.59 64.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.171 -0.956 . . . . 0.0 109.367 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.22 -31.66 69.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.356 -0.84 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.15 -27.34 59.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 110.031 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.5 mt -98.76 133.25 41.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 108.883 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.5 m -60.14 69.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.378 -0.826 . . . . 0.0 110.194 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -62.89 -38.42 90.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.67 77.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.049 -1.032 . . . . 0.0 111.286 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.28 68.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.902 -1.124 . . . . 0.0 109.724 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.15 -37.59 88.0 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.589 -0.694 . . . . 0.0 109.797 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.585 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.9 m-20 -58.6 -41.15 85.16 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.114 -0.991 . . . . 0.0 110.494 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.21 80.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.994 -1.066 . . . . 0.0 110.072 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.4 -33.97 77.21 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.708 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -62.56 -41.73 99.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 110.553 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.35 -38.79 92.51 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.017 -1.052 . . . . 0.0 109.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.75 65.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 108.982 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.28 -33.27 75.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 109.513 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.86 -41.78 83.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.95 . . . . 0.0 108.711 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.44 -32.92 72.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.206 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -61.16 -40.87 95.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.422 -0.799 . . . . 0.0 110.371 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -93.53 -17.93 22.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.211 -0.93 . . . . 0.0 110.233 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.274 0.559 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -60.43 -36.91 79.3 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.115 -0.99 . . . . 0.0 109.461 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.82 94.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 0.0 109.423 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.08 95.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.06 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -60.86 -43.66 96.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.16 -46.25 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.884 . . . . 0.0 109.571 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.91 89.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.5 m -62.34 -40.62 96.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.31 86.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.137 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -60.99 -32.25 71.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.85 . . . . 0.0 109.262 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -60.92 -43.12 99.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -0.822 . . . . 0.0 109.558 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CE2' ' CG2' ' A' ' 23' ' ' ILE . 86.2 m-85 -64.5 -38.97 92.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -61.01 -42.62 98.81 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.115 -0.991 . . . . 0.0 108.725 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -61.45 -30.14 70.4 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.58 -11.95 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.6 -0.688 . . . . 0.0 109.699 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.33 5.04 63.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' H ' HG13 ' A' ' 18' ' ' VAL . 76.5 mt -96.09 70.22 2.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.296 . . . . 0.0 109.396 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -32.94 84.34 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.76 -43.32 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.026 -1.279 . . . . 0.0 109.915 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 35.1 mm -66.72 -46.26 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.747 -1.221 . . . . 0.0 108.579 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.61 -33.18 81.05 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 73.8 t80 -58.82 -49.78 76.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 45.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.091 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.03 -43.13 96.51 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.157 -0.964 . . . . 0.0 110.19 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.83 -38.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.928 -1.107 . . . . 0.0 108.401 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.8 tp -65.5 -39.34 91.76 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 32.5 t80 -63.77 -44.13 94.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.496 -0.753 . . . . 0.0 109.879 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.99 88.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.11 -48.07 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.116 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.3 mt-10 -64.04 -31.65 72.92 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.412 -0.805 . . . . 0.0 109.842 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 5.8 mp -61.02 -47.74 85.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.185 -0.947 . . . . 0.0 109.603 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.99 -45.93 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.295 -0.878 . . . . 0.0 109.309 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.68 -38.67 91.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 109.69 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -79.04 1.47 23.92 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.46 -0.775 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -98.28 127.12 44.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.339 -0.851 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.95 -35.68 80.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.96 125.72 39.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.215 -0.928 . . . . 0.0 110.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -139.72 120.15 14.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.827 . . . . 0.0 108.996 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 p -75.37 160.1 30.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.65 -35.09 65.57 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.958 -1.089 . . . . 0.0 108.656 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.87 -41.31 78.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.322 -0.861 . . . . 0.0 109.855 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.22 -38.42 78.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.022 -1.049 . . . . 0.0 110.021 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -58.15 -44.15 87.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.091 -1.006 . . . . 0.0 108.692 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.36 70.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.86 -39.74 92.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 109.613 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.56 85.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.101 -1.0 . . . . 0.0 109.554 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -62.93 -46.11 89.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.59 -40.68 92.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.74 -37.77 88.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.88 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.57 -40.55 83.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 110.002 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -39.66 88.98 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.243 -0.911 . . . . 0.0 109.321 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -61.65 -37.68 84.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.449 -0.782 . . . . 0.0 110.191 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 56' ' ' ILE . 25.2 mm -56.53 -51.5 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.276 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.3 -38.47 85.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.72 94.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 109.353 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 64.5 t80 -70.56 -49.05 52.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.353 -0.842 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.6 ' O ' ' N ' ' A' ' 64' ' ' GLY . 65.7 tttt -63.57 -40.75 97.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.302 -0.874 . . . . 0.0 109.355 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -63.13 -33.81 76.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 108.56 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.15 -31.2 68.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.597 -0.689 . . . . 0.0 109.178 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 66.1 mt -124.04 9.21 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.519 -0.738 . . . . 0.0 109.733 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.86 -37.4 69.73 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.5 62.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -37.87 72.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.326 . . . . 0.0 108.83 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -134.87 -30.12 1.1 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.21 -31.4 72.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.85 78.4 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.431 -0.793 . . . . 0.0 109.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -42.56 85.92 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.046 -1.034 . . . . 0.0 108.379 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.71 -39.13 90.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.4 t -160.55 96.57 1.16 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.1 p30 -97.32 8.72 44.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.11 -75.61 0.54 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.968 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -67.05 -38.7 86.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 111.101 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.35 -35.11 79.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.598 -1.314 . . . . 0.0 109.487 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -59.37 -45.13 92.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.18 -43.53 97.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.459 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 7.7 ttt -59.7 -36.55 76.75 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -57.39 -37.95 73.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.497 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 69.6 mt -59.84 -41.15 90.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.519 -0.738 . . . . 0.0 109.581 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -83.89 -45.19 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 111.623 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 42.3 m-70 -77.14 -47.08 21.34 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.047 . . . . 0.0 111.24 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -78.81 98.11 6.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.926 -1.109 . . . . 0.0 109.255 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.15 -36.34 83.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.232 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -47.38 84.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.166 -0.959 . . . . 0.0 110.335 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HZ3' ' CD1' ' B' ' 130' ' ' ILE . 61.1 tttm -65.93 -41.92 90.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.01 88.69 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.002 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -46.14 72.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 0.0 109.752 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.9 mt -64.48 -46.37 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.78 -43.55 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -42.24 99.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.803 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.84 -40.22 94.56 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.41 -0.807 . . . . 0.0 108.882 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.48 ' O ' ' OG ' ' A' ' 99' ' ' SER . 89.2 m-20 -63.31 -42.59 99.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.598 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.897 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -63.44 -45.83 89.1 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.336 -0.852 . . . . 0.0 108.868 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.28 -39.48 92.63 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.187 -0.946 . . . . 0.0 109.889 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 41.0 m -62.72 -46.74 86.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 0.0 109.489 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 39.7 tp -67.05 -43.26 83.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.189 -0.944 . . . . 0.0 108.469 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.563 -0.711 . . . . 0.0 109.553 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 51.5 t-20 -63.26 -41.42 99.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.58 -39.92 92.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.085 -1.01 . . . . 0.0 110.026 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -64.43 -41.98 96.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.08 -1.013 . . . . 0.0 109.475 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.06 -36.11 81.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.036 -1.04 . . . . 0.0 108.723 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.58 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.3 tttp -60.12 -42.28 94.42 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -36.76 81.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.4 tp -58.08 -32.94 68.54 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 31.1 tttt -59.33 -40.49 86.48 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.688 -0.632 . . . . 0.0 110.24 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.495 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.4 m-20 -168.77 -23.24 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.229 -0.919 . . . . 0.0 110.583 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -50.05 156.41 2.17 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.55 140.91 84.14 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.791 2.327 . . . . 0.0 112.488 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.463 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.8 m-90 -105.85 137.0 44.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 108.922 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -154.82 173.46 16.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.955 -1.091 . . . . 0.0 110.421 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.1 t -55.4 -38.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.55 -42.42 74.64 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.103 -0.998 . . . . 0.0 108.75 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.17 -38.35 88.72 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.304 -0.873 . . . . 0.0 109.016 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.576 ' HZ3' ' CG ' ' B' ' 182' ' ' ASP . 87.2 tttt -58.14 -47.57 82.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.509 -0.745 . . . . 0.0 110.074 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -68.28 -38.29 81.55 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.472 -0.768 . . . . 0.0 110.04 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.1 m -61.47 -40.66 95.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.266 -0.897 . . . . 0.0 110.434 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -41.11 98.21 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.486 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.3 m95 -60.48 -39.05 86.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.386 -0.821 . . . . 0.0 109.07 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -42.51 90.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.385 -0.822 . . . . 0.0 109.415 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.2 m -60.93 -39.85 91.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.381 -0.824 . . . . 0.0 109.748 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.79 -42.67 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -0.874 . . . . 0.0 109.944 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.16 -40.82 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.98 -38.91 90.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.865 . . . . 0.0 110.394 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.9 m -62.11 -35.36 78.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.764 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 82.1 m -63.38 -44.8 93.7 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 110.065 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.454 HG22 HD13 ' A' ' 131' ' ' ILE . 90.1 mt -58.97 -44.88 92.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.159 -0.963 . . . . 0.0 110.478 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.1 -41.76 85.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.0 -1.062 . . . . 0.0 110.002 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.595 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 5.3 t60 -70.53 -45.74 64.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.388 -0.82 . . . . 0.0 110.571 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.76 -34.42 75.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.177 -0.952 . . . . 0.0 111.132 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -141.38 53.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.869 -1.144 . . . . 0.0 110.621 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -37.46 87.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.016 -1.053 . . . . 0.0 108.963 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.77 -26.09 66.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.506 -0.747 . . . . 0.0 110.597 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -91.5 1.14 57.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.29 129.78 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.109 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -70.6 159.9 33.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.205 -0.935 . . . . 0.0 109.498 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -39.5 94.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -0.904 . . . . 0.0 109.524 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.3 m -62.71 -45.0 94.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m -63.75 -38.91 92.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 0.0 109.379 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 42.6 m -61.76 -39.81 92.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.385 -0.822 . . . . 0.0 109.488 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.79 -41.14 81.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.345 -0.847 . . . . 0.0 109.613 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.6 t -61.88 -41.67 98.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.342 -0.849 . . . . 0.0 109.334 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.65 -41.57 96.02 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.378 -0.826 . . . . 0.0 109.671 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.02 -36.5 79.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 20.7 tttp -61.77 -40.36 94.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -0.923 . . . . 0.0 109.082 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 150' ' ' ARG . 84.2 mtt-85 -62.34 -42.01 99.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.392 -0.818 . . . . 0.0 109.273 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.04 -42.73 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 108.938 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 5.8 mmtt -60.86 -41.16 95.37 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.634 -0.666 . . . . 0.0 109.841 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.566 ' OH ' ' CE2' ' A' ' 157' ' ' TYR . 53.1 t80 -57.08 -43.56 82.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.381 -0.824 . . . . 0.0 109.381 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.42 -42.2 96.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.197 -0.939 . . . . 0.0 109.09 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -58.75 -44.01 90.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.358 -0.839 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.89 -50.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.176 -0.953 . . . . 0.0 110.658 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.577 ' CZ ' ' NZ ' ' A' ' 160' ' ' LYS . 1.1 m-85 -67.09 -36.08 81.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.238 -0.913 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.486 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 32.2 tp -59.96 -36.29 76.79 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 m -65.67 -43.24 89.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.52 -0.738 . . . . 0.0 110.051 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.577 ' NZ ' ' CZ ' ' A' ' 157' ' ' TYR . 50.0 mtmt -59.69 -37.78 79.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.171 -0.956 . . . . 0.0 109.492 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.9 mt -58.89 -35.12 72.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.039 -1.038 . . . . 0.0 108.233 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.38 71.32 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.64 -0.663 . . . . 0.0 109.69 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -79.99 -15.99 56.09 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.055 -1.028 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.25 11.9 79.89 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.77 -28.66 60.84 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.475 -1.014 . . . . 0.0 110.039 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.93 131.32 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.011 . . . . 0.0 109.023 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.463 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.971 -1.461 . . . . 0.0 109.605 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.593 ' C ' ' H ' ' B' ' 130' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -75.4 19.64 0.17 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.593 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.8 tt -65.64 -43.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.482 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.1 m-20 -69.84 -41.72 74.55 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -69.95 -40.17 75.6 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.462 0.649 . . . . 0.0 110.366 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.735 -178.803 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.632 0.73 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -56.5 -33.67 66.22 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.843 -1.161 . . . . 0.0 108.36 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.86 -36.22 76.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.422 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.404 HD22 ' H ' ' B' ' 143' ' ' LEU . 4.4 mm? -58.89 -35.98 73.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 108.909 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.98 -31.24 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 119.196 -1.002 . . . . 0.0 108.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.7 -38.78 75.81 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 27.1 mt-30 -59.65 -36.18 75.89 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.62 -33.21 84.2 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.8 -39.35 73.97 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.273 . . . . 0.0 108.191 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.58 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.0 tt0 -60.78 -34.25 74.21 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.7 tt -55.3 -43.48 74.85 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.23 -40.17 89.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.295 -0.878 . . . . 0.0 108.849 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 9.4 tm-20 -62.32 -37.9 87.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 39.0 t -64.3 -50.6 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 110.445 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.3 -33.26 75.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.84 97.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.333 -0.854 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.3 mtp -65.11 -40.7 94.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 109.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.82 -42.93 98.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 19.8 t-20 -177.49 107.42 0.06 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -57.25 -36.25 70.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.112 -0.993 . . . . 0.0 108.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -85.41 6.53 26.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.93 97.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.9 tp10 -124.28 152.63 42.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.507 -0.996 . . . . 0.0 108.939 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.29 -34.12 63.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 109.507 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.17 -33.77 71.32 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.32 -0.862 . . . . 0.0 109.34 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.76 -21.04 57.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -101.2 132.11 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.257 -0.902 . . . . 0.0 108.94 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.6 m -59.6 70.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.209 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 54.1 t0 -62.98 -36.61 84.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.84 77.2 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.168 -0.957 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -42.55 68.89 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.736 -1.228 . . . . 0.0 109.763 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.19 -38.52 91.48 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.448 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 93.2 m-20 -61.1 -42.68 98.96 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.168 -0.958 . . . . 0.0 110.426 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.92 86.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.995 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.53 -37.06 84.19 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 110.281 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 18.9 tp -67.81 -35.09 78.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.921 -1.112 . . . . 0.0 110.495 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.0 m-20 -62.23 -40.64 96.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.943 -1.098 . . . . 0.0 109.347 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.68 67.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.07 -1.019 . . . . 0.0 108.476 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.73 -38.53 91.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 109.82 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.64 77.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.71 -36.34 80.63 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.2 -0.938 . . . . 0.0 109.257 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.39 -47.19 74.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 110.31 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.576 ' CG ' ' HZ3' ' A' ' 118' ' ' LYS . 27.9 m-20 -70.48 -37.86 74.3 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.3 -1.586 0 O-C-N 121.582 -0.699 . . . . 0.0 109.16 -179.666 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.506 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 86.4 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' ' HG ' ' A' ' 3' ' ' SER . 38.1 t30 -60.53 -37.94 82.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 0.0 109.148 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.48 92.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 109.418 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.37 97.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.89 -41.65 92.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.95 -40.03 84.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.232 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.74 -47.57 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -0.917 . . . . 0.0 109.146 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.8 78.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.883 . . . . 0.0 108.675 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 m -61.56 -38.4 87.36 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.45 81.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.271 -0.893 . . . . 0.0 108.597 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -60.8 -31.51 70.89 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.441 -0.787 . . . . 0.0 109.016 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.61 -40.51 92.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.419 -0.801 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -63.76 -37.71 88.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.459 -0.776 . . . . 0.0 109.632 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.92 -41.57 96.42 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.09 -1.007 . . . . 0.0 109.021 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.23 -30.83 69.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.447 -0.783 . . . . 0.0 109.191 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.53 -8.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.335 -0.853 . . . . 0.0 109.79 -179.464 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.06 5.16 62.61 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.004 -1.093 . . . . 0.0 110.453 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' H ' HG13 ' A' ' 18' ' ' VAL . 69.8 mt -96.33 63.52 2.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.381 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -32.85 80.55 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.72 -43.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.979 -1.307 . . . . 0.0 109.757 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.33 -48.4 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.058 -1.026 . . . . 0.0 108.824 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.56 80.32 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.2 t80 -58.66 -49.39 77.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -1.093 . . . . 0.0 109.942 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 44.7 m-85 -67.25 -36.2 81.14 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.943 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.83 -41.87 97.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 0.0 110.156 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.03 -40.62 94.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.956 -1.09 . . . . 0.0 108.65 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.65 -38.54 89.63 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.584 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 66.2 t80 -63.38 -43.73 96.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.552 -0.717 . . . . 0.0 110.469 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.79 92.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.147 -0.971 . . . . 0.0 110.24 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.36 -47.3 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 110.228 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -63.9 -31.57 72.8 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.377 -0.827 . . . . 0.0 109.931 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.4 mp -60.94 -46.85 89.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.84 -47.04 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 109.381 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.19 -37.24 86.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.461 -0.774 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -68.17 -14.46 63.0 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.54 127.33 36.94 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.399 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -35.92 81.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -91.99 125.92 36.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.884 . . . . 0.0 110.026 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -132.05 142.53 49.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.386 -0.821 . . . . 0.0 109.387 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -109.49 157.37 19.05 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -52.13 -34.55 44.95 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.964 -1.085 . . . . 0.0 108.305 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.52 -42.8 82.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.376 -0.827 . . . . 0.0 110.02 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.4 mmm -75.36 -42.38 54.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.883 -1.136 . . . . 0.0 109.637 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.0 m -61.91 -44.95 95.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 109.54 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.55 77.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.75 -40.57 97.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.825 . . . . 0.0 109.689 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.71 92.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 0.0 109.656 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -60.02 -45.95 91.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.363 -0.836 . . . . 0.0 110.504 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.44 -38.0 79.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.643 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.73 -36.7 85.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.08 -40.02 80.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.05 -40.86 97.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.242 -0.911 . . . . 0.0 109.131 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 m -65.96 -44.16 85.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 110.036 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.75 -51.38 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.977 . . . . 0.0 109.43 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.87 -39.64 93.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.66 88.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.105 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.8 t80 -67.72 -48.8 65.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.369 -0.832 . . . . 0.0 109.729 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.0 tttt -63.84 -40.42 96.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.836 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.11 -33.78 76.18 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -59.05 -31.39 68.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.094 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -123.44 10.04 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.804 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.52 -37.75 61.41 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.64 3.6 64.38 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.31 -37.09 81.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.906 -1.349 . . . . 0.0 109.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.13 -29.44 1.11 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.1 -30.55 71.68 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.41 -0.807 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -43.7 80.32 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.176 -0.953 . . . . 0.0 108.451 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.27 -39.08 92.14 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 72' ' ' SER . 13.2 p -161.03 97.08 1.13 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -97.71 7.32 46.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 109.665 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -95.32 -75.92 0.51 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 110.117 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.7 p -67.37 -38.88 85.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 111.247 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.2 tp -67.93 -34.84 77.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.516 -1.365 . . . . 0.0 109.739 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.2 t60 -59.8 -45.13 93.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.172 -0.955 . . . . 0.0 109.596 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.62 -42.56 95.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.295 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.466 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.7 ttt -58.28 -36.09 72.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.34 -32.55 71.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.582 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.2 m -56.93 -37.6 71.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 65.0 mt -60.36 -40.36 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.55 -0.719 . . . . 0.0 109.54 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.88 -45.21 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.255 -0.903 . . . . 0.0 111.413 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.596 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.7 m-70 -74.37 -48.13 29.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.901 . . . . 0.0 111.069 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.73 98.46 9.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.0 mp0 -64.49 -35.12 79.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.931 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -47.7 85.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.171 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -67.07 -41.86 85.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.039 -1.038 . . . . 0.0 108.95 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.82 87.39 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -45.75 70.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.583 -0.698 . . . . 0.0 109.376 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.32 -45.69 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.542 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.38 -44.61 96.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.43 -42.95 99.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.88 -39.7 94.79 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.29 -44.1 97.3 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.586 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -48.27 71.09 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -44.4 96.62 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.489 -0.757 . . . . 0.0 109.398 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.98 -39.62 94.54 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.183 -0.948 . . . . 0.0 109.716 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -63.25 -46.49 86.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.88 -46.75 77.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.929 . . . . 0.0 108.962 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -63.27 -38.63 91.93 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.497 -0.752 . . . . 0.0 109.754 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.3 -38.73 80.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.27 -39.52 92.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 0.0 109.777 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.594 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 25.2 mmtt -63.09 -45.63 91.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.142 -0.974 . . . . 0.0 109.583 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.2 mt -68.04 -36.74 80.4 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.192 -0.942 . . . . 0.0 108.505 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 27.2 tttp -60.83 -45.85 92.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.7 mt-30 -63.07 -36.79 84.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.441 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 7.9 tp -58.34 -33.0 69.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.507 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 61.2 tttt -59.09 -40.77 86.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.71 -0.619 . . . . 0.0 109.975 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.2 m-20 -168.48 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.216 -0.928 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -63.34 157.82 39.97 Favored Glycine 0 N--CA 1.494 2.548 0 O-C-N 120.652 -1.28 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.82 138.69 70.26 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.893 2.395 . . . . 0.0 112.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.401 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.4 m-90 -106.15 136.06 46.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.357 -0.839 . . . . 0.0 109.069 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -156.11 172.63 18.1 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.042 -1.037 . . . . 0.0 110.335 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -55.69 -38.31 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.698 -0.626 . . . . 0.0 109.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.4 ttp -54.83 -42.42 71.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.838 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 tp -62.54 -35.73 80.36 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.28 -0.887 . . . . 0.0 108.984 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.01 -47.41 83.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -67.81 -39.52 83.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 109.895 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.594 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 7.6 t -62.78 -40.01 95.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 109.812 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.227 -0.921 . . . . 0.0 109.584 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.476 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 44.2 m95 -61.24 -37.44 83.08 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.214 -0.929 . . . . 0.0 109.076 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -40.19 88.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.358 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.01 -39.58 95.2 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.858 . . . . 0.0 109.638 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.2 -42.36 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.84 -40.53 93.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.53 -39.68 94.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 110.349 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -42.92 91.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 110.301 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.7 p -63.74 -32.56 74.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.046 -1.034 . . . . 0.0 109.797 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 91.2 m -69.08 -43.03 75.39 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.91 -44.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.192 -0.943 . . . . 0.0 110.076 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.84 -44.78 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.016 -1.052 . . . . 0.0 109.912 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.584 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.6 t60 -68.39 -43.75 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.541 -0.724 . . . . 0.0 111.022 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.87 -33.13 72.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.228 -0.92 . . . . 0.0 111.565 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -140.4 60.23 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.78 -1.2 . . . . 0.0 110.944 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -62.01 -38.22 87.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.907 -1.121 . . . . 0.0 109.206 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.21 -27.13 66.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.493 -0.754 . . . . 0.0 111.144 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -91.64 1.52 57.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.75 -1.219 . . . . 0.0 110.389 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.3 mt -118.35 125.97 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.254 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m -70.93 159.93 33.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.351 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -64.85 -38.5 91.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 109.512 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.4 m -65.03 -45.42 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.1 p -65.75 -33.83 76.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -0.85 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 50.6 m -63.33 -40.77 98.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 109.296 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -58.0 -39.41 78.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.368 -0.832 . . . . 0.0 109.592 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -61.9 -41.78 98.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.282 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.19 -41.06 86.49 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.721 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.89 -36.58 79.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.401 -0.812 . . . . 0.0 109.394 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -61.63 -40.79 96.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.166 -0.958 . . . . 0.0 108.959 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.562 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 87.3 mtt-85 -62.27 -42.61 99.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 108.988 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.35 -44.78 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.413 -0.805 . . . . 0.0 108.878 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.592 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 8.0 mmtt -61.21 -40.34 93.61 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 49.5 t80 -57.69 -43.31 85.02 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 2.8 m -64.36 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.338 -0.851 . . . . 0.0 108.924 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.81 -43.99 90.71 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.442 -0.786 . . . . 0.0 109.779 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 156' ' ' ILE . 85.4 mt -69.87 -50.36 49.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.234 -0.916 . . . . 0.0 110.661 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 1.7 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.148 -0.97 . . . . 0.0 110.498 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.476 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -59.84 -38.53 82.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.139 -0.976 . . . . 0.0 108.485 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.1 t -67.18 -45.32 77.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.363 -0.836 . . . . 0.0 109.593 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.72 -37.79 82.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.527 -0.733 . . . . 0.0 109.531 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.27 -42.1 96.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.735 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.31 61.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.378 -0.826 . . . . 0.0 109.669 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 14.3 mtpt -83.65 -4.48 58.62 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.344 -0.848 . . . . 0.0 109.788 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.25 11.77 85.0 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.97 -29.05 60.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.191 -1.182 . . . . 0.0 109.831 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 166' ' ' ILE . 21.8 mm -107.15 132.15 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.075 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 CA-C-O 118.041 -1.422 . . . . 0.0 109.553 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.633 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.633 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 11.9 m120 -75.28 19.71 0.16 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.596 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.4 tt -63.43 -43.71 98.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.499 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 90.1 m-20 -75.87 -42.32 49.68 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.742 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.402 ' HD2' HD21 ' B' ' 129' ' ' ASN . 56.6 mttm -63.4 -39.32 94.18 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.381 0.61 . . . . 0.0 109.894 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 109.581 -179.421 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.818 0.818 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -60.58 -33.18 72.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 108.463 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.07 -36.45 75.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 3.0 mm? -58.98 -38.26 78.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 46.7 mt -68.54 -32.17 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.53 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.67 -38.1 71.74 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.26 -36.35 75.34 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.26 81.05 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.82 -39.61 71.63 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.884 -1.362 . . . . 0.0 107.885 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 72.0 tt0 -61.53 -33.48 73.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.75 -44.5 73.68 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.88 -39.83 93.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.25 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 1.5 tm-20 -61.82 -39.39 91.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.447 -0.783 . . . . 0.0 109.835 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.54 -50.36 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.027 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.86 -34.48 77.89 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.155 -0.965 . . . . 0.0 109.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . 0.54 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -66.38 -43.36 86.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.215 -0.928 . . . . 0.0 109.753 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.56 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 53.3 mtt -68.37 -39.94 81.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.0 109.916 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.93 -42.4 98.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.406 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 16.4 t-20 -176.16 102.75 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 24.7 m120 -57.87 -35.72 71.36 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.099 -1.0 . . . . 0.0 109.122 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 42.7 p -84.4 3.96 33.66 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . 0.586 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.77 97.79 0.06 OUTLIER Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -125.03 151.97 44.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.608 -0.936 . . . . 0.0 109.138 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.31 -35.25 67.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.14 -0.975 . . . . 0.0 109.552 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.9 -20.64 57.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.636 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.2 mt -102.93 132.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.229 -0.92 . . . . 0.0 108.933 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 70.8 m -59.02 71.76 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.444 -0.785 . . . . 0.0 110.251 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.5 t0 -65.4 -38.88 91.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.89 76.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.045 -1.035 . . . . 0.0 111.457 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.31 -43.11 67.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.873 -1.142 . . . . 0.0 109.812 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.21 -38.04 89.59 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.57 -0.706 . . . . 0.0 110.231 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.592 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.4 m-20 -60.32 -43.11 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.125 -0.984 . . . . 0.0 110.545 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.44 79.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.091 -1.006 . . . . 0.0 109.878 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.592 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 95.3 mt-10 -64.66 -36.33 83.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.39 -35.57 80.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.918 -1.114 . . . . 0.0 110.585 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.5 m-20 -61.38 -36.99 81.78 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.948 -1.095 . . . . 0.0 108.349 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.34 -43.26 70.61 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.01 -35.39 80.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.391 -0.818 . . . . 0.0 109.69 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.59 -40.02 71.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.987 -1.071 . . . . 0.0 108.261 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.68 -33.88 74.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.569 -0.707 . . . . 0.0 109.113 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.65 -40.93 96.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.768 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -93.53 -17.59 23.2 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.045 -1.034 . . . . 0.0 110.821 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.3 -1.558 0 O-C-N 121.08 -1.013 . . . . 0.0 109.513 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.82 -38.66 86.19 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.24 -0.913 . . . . 0.0 109.278 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.71 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.162 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.58 90.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.22 -0.925 . . . . 0.0 108.912 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.8 -46.29 89.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.381 -0.824 . . . . 0.0 108.876 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.79 -39.99 85.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.46 -45.88 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.75 81.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 108.89 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -62.49 -38.82 91.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.462 -0.774 . . . . 0.0 109.214 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.23 91.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.115 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -60.84 -31.69 71.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.354 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -60.67 -41.79 95.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 0.0 109.326 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.02 -39.16 93.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.311 -0.868 . . . . 0.0 109.785 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.13 -39.74 91.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.026 -1.046 . . . . 0.0 108.984 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -61.02 -31.81 71.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.473 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG11 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.56 -9.48 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.912 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 7.98 61.22 Favored Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.941 -1.123 . . . . 0.0 110.548 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' H ' HG11 ' A' ' 18' ' ' VAL . 38.6 mt -95.8 65.99 2.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.332 . . . . 0.0 109.383 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.35 -33.86 86.12 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.84 -43.62 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.025 -1.28 . . . . 0.0 109.607 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.24 -47.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.053 -1.029 . . . . 0.0 108.825 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.62 -32.42 78.38 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.1 t80 -58.55 -48.52 80.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.389 -1.065 . . . . 0.0 109.991 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 33.0 m-85 -67.19 -36.31 81.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.161 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.59 -41.36 98.36 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.035 -1.041 . . . . 0.0 109.949 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.35 -39.68 93.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.064 -1.022 . . . . 0.0 109.109 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.25 -39.55 94.19 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.4 -0.812 . . . . 0.0 109.116 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.473 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 19.5 t80 -63.21 -42.54 99.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.458 -0.776 . . . . 0.0 110.192 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.73 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.241 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.41 -46.34 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.124 -0.985 . . . . 0.0 110.446 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.61 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.056 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -60.63 -47.74 84.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.126 -0.984 . . . . 0.0 109.603 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.26 -43.86 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.34 -33.35 75.52 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.491 -0.756 . . . . 0.0 110.154 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.0 p -67.11 -16.71 64.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -89.26 122.25 32.33 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.563 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.52 -35.54 80.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 109.691 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -86.02 125.72 33.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.96 142.71 44.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.363 -0.835 . . . . 0.0 109.633 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.7 m -114.11 159.77 19.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.39 54.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.828 -1.17 . . . . 0.0 108.487 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.63 -44.94 66.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.824 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.3 mtp -68.98 -40.8 78.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.896 -1.128 . . . . 0.0 109.82 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.4 m -62.4 -41.98 99.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.326 -0.859 . . . . 0.0 109.671 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.23 86.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 109.77 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.48 -42.29 99.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 0.0 109.509 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.95 84.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.436 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.03 -45.78 91.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.31 -38.43 74.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.597 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.74 -37.17 86.7 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.871 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.85 -39.46 81.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.994 -1.066 . . . . 0.0 109.206 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -61.69 -42.22 98.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.31 -0.869 . . . . 0.0 109.227 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.4 m -64.88 -43.05 94.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.885 . . . . 0.0 109.684 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.48 -51.11 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.16 -38.01 87.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.27 -0.894 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.05 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.152 -0.967 . . . . 0.0 109.058 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.98 -48.83 56.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.548 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 64' ' ' GLY . 56.9 tttt -64.01 -39.49 94.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.391 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.9 -34.01 76.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.93 . . . . 0.0 108.586 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.22 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 74.5 mt -123.77 13.38 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.664 -0.648 . . . . 0.0 109.749 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.96 -33.43 13.46 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.26 17.73 45.39 Favored Glycine 0 N--CA 1.489 2.174 0 O-C-N 121.202 -1.175 . . . . 0.0 110.527 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.12 -88.41 0.16 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.9 -1.353 . . . . 0.0 108.557 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.7 m -68.93 -34.02 74.69 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.93 -31.25 72.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.627 -0.67 . . . . 0.0 109.364 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.02 -37.94 75.27 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.203 -0.936 . . . . 0.0 108.86 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.03 -42.35 98.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -68.84 -40.26 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.539 -0.725 . . . . 0.0 109.191 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 t -165.83 98.97 0.66 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -100.37 7.88 44.01 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.299 -0.875 . . . . 0.0 109.462 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -95.93 -76.65 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.197 -0.94 . . . . 0.0 110.08 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -67.5 -39.33 85.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.34 -0.85 . . . . 0.0 111.259 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.1 -34.91 75.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.663 -1.273 . . . . 0.0 109.909 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.583 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -59.81 -45.07 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.191 -0.943 . . . . 0.0 109.55 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -62.81 -41.0 90.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.451 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.9 ttt -58.41 -36.07 73.01 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.04 -32.74 71.19 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 178.609 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -56.61 -37.46 70.72 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.502 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 57.4 mt -60.58 -41.32 94.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.4 mt -85.56 -45.33 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.145 -0.972 . . . . 0.0 111.265 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.9 m-70 -72.33 -46.14 56.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 111.131 -178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -82.37 101.45 10.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.885 -1.135 . . . . 0.0 109.583 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -36.72 85.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' HG3' HD22 ' A' ' 138' ' ' ASN . 85.0 tt0 -62.82 -47.66 82.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.2 -0.937 . . . . 0.0 110.41 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -65.87 -41.89 91.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.116 -0.99 . . . . 0.0 109.389 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.489 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.48 -37.76 88.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.0 108.759 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -44.83 67.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.426 -0.796 . . . . 0.0 109.592 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.98 -42.76 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.99 -43.93 90.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.058 -1.026 . . . . 0.0 109.598 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.58 -41.72 99.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.006 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.37 -42.71 98.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.451 -0.781 . . . . 0.0 109.061 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' B' ' 140' ' ' MET . 94.2 m-20 -63.36 -40.5 97.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.237 -0.915 . . . . 0.0 109.341 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -65.09 -49.75 68.77 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.007 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.9 m -63.46 -45.12 92.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.0 108.961 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.0 mmm -62.69 -39.36 93.76 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 109.352 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -63.32 -46.74 85.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.309 -0.869 . . . . 0.0 109.075 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.04 -45.03 78.68 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.19 -43.36 99.01 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.581 -0.7 . . . . 0.0 109.351 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.84 -37.73 85.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 0.0 109.796 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.25 -41.93 98.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 110.115 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -64.67 -45.33 87.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 109.458 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.8 mt -65.19 -36.86 85.52 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.184 -0.947 . . . . 0.0 108.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.9 tttp -61.62 -46.23 90.72 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -63.38 -36.72 84.65 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HA ' ' HE1' ' A' ' 113' ' ' TRP . 6.4 tp -57.94 -32.91 68.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.3 tttt -58.83 -39.51 81.45 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.726 -0.609 . . . . 0.0 110.046 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.0 m-20 -167.49 -18.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.278 -0.889 . . . . 0.0 110.632 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -54.17 155.34 7.55 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.49 140.22 74.69 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.778 2.319 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.473 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.2 m-90 -106.09 135.8 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -155.52 172.57 18.03 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.01 -1.056 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.48 -39.01 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.85 -42.69 80.14 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.069 -1.02 . . . . 0.0 108.778 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.39 -36.86 83.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.824 . . . . 0.0 108.917 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 87.0 tttt -57.02 -47.48 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.481 -0.762 . . . . 0.0 109.94 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -65.4 -38.61 90.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.485 -0.759 . . . . 0.0 110.002 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.528 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 54.6 p -65.34 -35.47 81.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.192 -0.943 . . . . 0.0 110.1 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.528 ' N ' ' HG ' ' A' ' 120' ' ' SER . 87.1 mt -62.37 -39.16 92.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.093 -1.004 . . . . 0.0 109.134 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.454 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 56.9 m95 -62.62 -38.42 90.14 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -41.92 99.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.427 -0.796 . . . . 0.0 109.69 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 m -61.93 -39.72 93.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -58.99 -42.53 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.865 . . . . 0.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -62.32 -41.78 98.83 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.195 -0.941 . . . . 0.0 110.501 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.18 -39.39 89.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 0.0 110.663 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.73 -42.64 97.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.967 -1.083 . . . . 0.0 110.357 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -62.44 -36.71 83.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.01 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -65.74 -41.19 92.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.856 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.44 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 95.0 mt -59.42 -44.34 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.045 -1.034 . . . . 0.0 110.431 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.2 mt -67.03 -41.78 86.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.067 . . . . 0.0 110.019 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.61 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 6.8 t60 -70.4 -45.92 65.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.213 -0.93 . . . . 0.0 111.395 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -144.39 54.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 110.716 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -38.75 92.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.899 -1.125 . . . . 0.0 109.128 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.42 -24.41 65.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.404 HD22 ' HG3' ' A' ' 87' ' ' GLU . 46.3 t30 -91.43 1.69 56.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.917 -1.114 . . . . 0.0 110.098 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.02 131.96 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.031 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.31 160.02 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.26 -38.04 89.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.0 m -63.2 -45.06 93.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.373 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 m -63.47 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 0.0 109.338 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 m -61.29 -39.97 92.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.75 -41.87 82.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 0.0 109.531 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.5 m -62.21 -40.51 96.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.235 -0.915 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.03 -41.57 95.15 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.432 -0.792 . . . . 0.0 109.708 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -62.25 -41.41 98.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 108.98 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.84 -42.71 99.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.306 -0.872 . . . . 0.0 109.081 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.0 -43.18 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.18 -38.39 86.34 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.611 -0.681 . . . . 0.0 109.764 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.44 ' CZ ' ' CE1' ' A' ' 157' ' ' TYR . 17.1 t80 -60.27 -43.99 95.72 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.419 -0.801 . . . . 0.0 108.932 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -43.3 82.34 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.307 -0.871 . . . . 0.0 108.887 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.12 -44.17 92.0 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.372 -0.83 . . . . 0.0 109.551 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.7 mt -70.04 -48.72 61.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.943 -1.098 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.44 ' CE1' ' CZ ' ' A' ' 153' ' ' TYR . 1.4 m-85 -65.03 -35.73 82.12 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 110.73 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.454 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 30.7 tp -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.458 ' N ' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.36 -39.72 74.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.261 -0.9 . . . . 0.0 109.411 179.131 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.46 -39.05 86.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.11 -36.89 75.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.182 -0.948 . . . . 0.0 108.543 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.78 70.78 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.499 -0.751 . . . . 0.0 109.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.4 ' HZ3' ' CD ' ' B' ' 170' ' ' GLU . 44.1 mttm -78.43 -16.15 57.89 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.239 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.05 11.12 79.43 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -74.68 -28.44 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.461 -1.023 . . . . 0.0 109.775 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.4 mm -102.44 132.36 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.118 -0.989 . . . . 0.0 109.065 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.473 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 117.947 -1.474 . . . . 0.0 109.614 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.613 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.613 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.4 m120 -74.38 20.05 0.12 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.583 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.7 tt -63.64 -39.71 86.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.46 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 86.5 m-20 -72.22 -40.55 67.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.427 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -73.63 -37.4 65.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 109.704 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.402 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.476 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.0 mtm . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.829 0.823 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.28 -33.66 69.68 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 109.073 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.07 -36.19 74.64 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 39.4 mt -58.77 -32.81 69.64 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.94 -30.28 47.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 C-N-CA 119.144 -1.023 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.73 -37.15 78.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.46 -35.66 74.5 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.32 83.58 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -55.76 -38.53 69.97 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.8 tt0 -60.35 -33.63 72.7 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.9 tt -54.9 -44.5 74.19 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.72 -40.53 95.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.382 -0.824 . . . . 0.0 109.246 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.2 tm-20 -62.64 -37.65 87.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.528 -0.732 . . . . 0.0 109.611 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.68 -50.21 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 110.437 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.16 -33.39 75.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.136 -0.977 . . . . 0.0 109.309 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.02 99.0 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.2 -0.938 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.0 mtp -66.87 -39.39 87.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.612 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.522 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.8 t-20 -60.84 -39.69 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -0.901 . . . . 0.0 109.509 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.522 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 0.8 OUTLIER 169.5 106.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.409 -0.807 . . . . 0.0 109.17 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.231 -0.918 . . . . 0.0 108.974 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.8 p -82.13 1.89 34.01 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.51 98.23 0.07 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -125.88 153.76 43.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.517 -0.99 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 8.3 mp -54.34 -35.46 62.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.47 -29.72 70.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.8 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.93 -21.78 58.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.103 -0.998 . . . . 0.0 110.182 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' B' ' 168' ' ' ASP . 4.4 pt -109.65 139.56 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.464 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 167' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' B' ' 171' ' ' LEU . 29.0 t -60.35 80.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.396 -0.815 . . . . 0.0 110.163 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.487 ' OD1' ' OD2' ' B' ' 172' ' ' ASP . 46.1 t0 -62.6 -36.53 83.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 110.266 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.6 79.19 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.114 -0.991 . . . . 0.0 111.155 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . 0.4 ' CD ' ' HZ3' ' A' ' 163' ' ' LYS . 66.9 tt0 -71.22 -45.19 63.83 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.854 -1.154 . . . . 0.0 109.389 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' B' ' 167' ' ' SER . 12.2 mt -60.93 -38.85 87.23 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.752 -0.592 . . . . 0.0 109.934 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -67.46 -44.1 79.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 110.347 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.85 84.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.64 -32.82 74.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -63.15 -43.37 98.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 0.0 110.671 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.53 -40.6 97.45 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.01 -1.056 . . . . 0.0 109.543 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.18 67.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.38 -34.86 79.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.289 -0.882 . . . . 0.0 110.079 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.48 85.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.072 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.33 -37.31 82.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.388 -0.82 . . . . 0.0 109.461 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.4 tm-20 -69.13 -45.61 69.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 110.08 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.2 m-20 -72.24 -35.53 68.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.3 -1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.242 -179.378 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -61.02 -36.74 80.31 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.262 -0.899 . . . . 0.0 109.104 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.62 93.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.487 -0.758 . . . . 0.0 109.428 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.67 75.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.939 . . . . 0.0 109.601 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -59.91 -39.14 84.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.27 -41.84 88.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.36 -46.38 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.0 109.308 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.77 83.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 108.862 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -61.43 -38.87 88.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.457 -0.777 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.94 84.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.223 -0.923 . . . . 0.0 108.734 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -61.46 -32.21 72.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.366 -0.834 . . . . 0.0 109.272 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.64 -41.23 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -63.69 -37.06 85.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.337 -0.852 . . . . 0.0 109.672 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.99 -42.15 97.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.065 -1.022 . . . . 0.0 108.889 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.72 -30.28 69.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.069 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.36 -10.57 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.51 -0.744 . . . . 0.0 109.723 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.13 4.82 62.73 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' H ' HG13 ' A' ' 18' ' ' VAL . 78.2 mt -95.96 55.3 1.57 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.068 -1.254 . . . . 0.0 109.237 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.72 61.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 mm -57.64 -43.14 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.02 -1.283 . . . . 0.0 109.37 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.45 -48.03 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.985 -1.072 . . . . 0.0 108.697 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.55 -32.2 77.31 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 83.2 t80 -58.32 -47.98 81.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.357 -1.084 . . . . 0.0 109.769 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.7 m-85 -67.42 -36.46 81.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.17 -0.956 . . . . 0.0 110.029 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.89 -41.31 99.38 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.068 -1.02 . . . . 0.0 110.02 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.23 -40.7 97.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 109.012 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.34 -40.36 89.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.371 -0.831 . . . . 0.0 109.368 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.28 -44.92 82.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 0.0 110.316 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.65 85.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.083 -1.011 . . . . 0.0 109.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 t -61.55 -48.75 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.583 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -62.76 -31.21 72.12 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.6 -48.05 83.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.465 -0.772 . . . . 0.0 109.62 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.07 -43.13 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -0.881 . . . . 0.0 109.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.89 -38.52 91.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.365 -0.835 . . . . 0.0 109.603 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 m -78.19 1.44 21.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.413 -0.804 . . . . 0.0 109.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.06 125.71 39.9 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.261 -0.9 . . . . 0.0 109.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.64 -37.1 85.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.896 . . . . 0.0 109.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.09 125.7 34.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.918 . . . . 0.0 110.084 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -139.88 140.96 36.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.342 -0.849 . . . . 0.0 109.576 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 45' ' ' MET . 86.0 p -114.12 161.51 17.67 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -52.91 -36.79 59.98 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 108.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -43.1 75.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.221 -0.924 . . . . 0.0 110.129 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.402 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.4 mtp -69.82 -41.46 74.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.923 -1.11 . . . . 0.0 109.762 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.4 m -63.49 -43.88 95.98 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.56 -34.63 76.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.444 -0.785 . . . . 0.0 109.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.34 -40.12 95.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.691 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.61 91.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.118 -0.989 . . . . 0.0 109.559 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -61.43 -45.71 93.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.8 . . . . 0.0 110.459 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.57 -38.0 74.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.7 -37.0 85.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.0 109.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -58.46 -39.48 80.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.939 -1.101 . . . . 0.0 109.244 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.84 -42.18 98.73 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 m -66.52 -46.18 77.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -0.874 . . . . 0.0 109.768 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.09 -47.55 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.426 -0.796 . . . . 0.0 109.686 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.68 -38.74 92.02 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.062 -1.024 . . . . 0.0 109.135 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.3 76.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.33 -0.856 . . . . 0.0 108.841 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.3 t80 -65.42 -48.84 71.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.696 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.7 tttt -64.9 -40.45 95.11 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.061 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.06 -33.77 76.15 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.67 66.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -125.0 8.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.532 -0.73 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.2 -37.71 31.4 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.31 0.18 63.35 Favored Glycine 0 N--CA 1.489 2.211 0 O-C-N 121.297 -1.119 . . . . 0.0 110.563 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.73 -37.92 80.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.884 -1.362 . . . . 0.0 108.893 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.54 -29.09 0.7 Allowed 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.31 -31.52 72.14 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.65 -36.29 82.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.391 -0.818 . . . . 0.0 108.918 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.88 -37.69 66.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.908 . . . . 0.0 108.874 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.47 -40.37 86.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.38 -0.825 . . . . 0.0 109.334 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.671 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -129.61 -63.2 0.94 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.671 ' N ' ' HG ' ' A' ' 72' ' ' SER . 1.2 t0 72.02 -23.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' A' ' 72' ' ' SER . 72.9 mttt -90.04 -80.24 0.32 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.108 -0.995 . . . . 0.0 109.656 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.1 p -67.64 -33.02 74.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.8 tp -68.15 -37.62 81.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -61.1 -45.84 93.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.168 -0.957 . . . . 0.0 109.89 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -66.12 -40.15 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.066 -1.021 . . . . 0.0 108.68 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.449 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.3 ttt -57.88 -36.52 72.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.23 -32.47 71.16 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.67 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 28.0 m -56.85 -38.11 72.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.498 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 74.7 mt -60.23 -40.26 89.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.494 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -86.16 -45.32 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.126 -0.984 . . . . 0.0 111.44 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.56 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 92.1 m-70 -74.39 -48.13 29.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 0.0 111.235 -178.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -79.04 99.59 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.906 -1.121 . . . . 0.0 109.515 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.436 -0.79 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.58 -47.5 83.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.967 . . . . 0.0 110.175 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -65.64 -43.2 90.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.104 -0.997 . . . . 0.0 109.174 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.492 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.92 -38.01 89.49 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.674 ' NZ ' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.76 -45.98 74.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.612 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 91' ' ' ILE . 73.2 mt -64.73 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.572 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.64 -43.04 94.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.984 . . . . 0.0 109.702 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 tpt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.181 -0.949 . . . . 0.0 108.815 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.79 -43.93 91.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.98 -40.99 99.4 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.087 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.28 -50.07 64.96 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.8 m -62.26 -43.64 98.37 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.445 -0.784 . . . . 0.0 108.931 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 83.9 mmm -62.52 -38.34 89.56 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.282 -0.886 . . . . 0.0 109.614 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -63.82 -47.28 81.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.4 tp -67.41 -41.46 84.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.36 -41.85 98.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -62.23 -39.66 93.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.173 -0.954 . . . . 0.0 109.928 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.584 ' HZ1' ' CD1' ' A' ' 117' ' ' LEU . 8.8 mmpt? -62.58 -45.71 91.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.77 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.81 -35.41 72.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.239 -0.913 . . . . 0.0 108.556 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.566 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.3 tttp -59.37 -43.45 92.88 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.14 -36.47 84.35 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 9.9 tp -58.64 -33.33 69.95 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 66.6 tttt -59.17 -39.07 81.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.71 -0.619 . . . . 0.0 110.135 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.5 m-20 -167.85 -20.43 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.187 -0.946 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.71 156.53 7.46 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.74 141.54 85.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.406 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.6 m-90 -106.1 136.64 45.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 108.913 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.5 p30 -155.21 172.54 18.0 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.963 -1.086 . . . . 0.0 110.401 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.5 t -55.55 -39.27 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.0 ttp -56.44 -42.24 77.8 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.901 -1.124 . . . . 0.0 108.423 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.584 ' CD1' ' HZ1' ' A' ' 104' ' ' LYS . 41.9 tp -62.2 -35.37 78.66 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.37 -0.831 . . . . 0.0 109.036 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.409 ' CE ' ' OD2' ' B' ' 182' ' ' ASP . 81.4 tttt -57.2 -47.17 81.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.473 -0.767 . . . . 0.0 109.867 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -67.81 -39.04 84.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.437 -0.789 . . . . 0.0 109.832 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -60.76 -40.27 91.89 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.308 -0.87 . . . . 0.0 109.982 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -41.04 99.28 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.158 -0.964 . . . . 0.0 109.22 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.484 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 48.4 m95 -64.18 -37.72 88.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.11 98.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.4 -0.812 . . . . 0.0 109.899 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.37 -39.63 93.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.295 -0.878 . . . . 0.0 109.69 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.8 mt -57.94 -42.16 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -40.88 97.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 110.091 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.86 -40.0 93.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.87 . . . . 0.0 110.41 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -65.25 -42.58 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.008 -1.057 . . . . 0.0 110.329 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -64.42 -31.9 73.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.063 -1.023 . . . . 0.0 109.755 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -69.13 -41.99 76.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.252 -0.905 . . . . 0.0 109.749 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.577 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.4 mt -59.28 -42.64 87.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 110.243 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.46 -45.42 72.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 110.134 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.583 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.2 t60 -68.23 -41.9 80.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.921 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.12 -31.58 71.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 111.453 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -143.33 59.3 1.4 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.69 -1.256 . . . . 0.0 111.266 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -62.19 -38.69 90.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.904 -1.122 . . . . 0.0 109.157 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.66 -28.7 68.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.115 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.674 HD21 ' NZ ' ' A' ' 90' ' ' LYS . 12.8 t30 -91.82 -0.81 57.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.77 -1.206 . . . . 0.0 110.387 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.451 HG21 HD12 ' A' ' 139' ' ' ILE . 73.6 mt -118.13 127.31 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.135 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.2 m -70.6 160.02 33.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.45 -38.72 92.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.7 m -64.97 -44.91 87.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -38.72 92.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.386 -0.821 . . . . 0.0 109.42 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.3 m -61.64 -39.46 91.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.796 . . . . 0.0 109.412 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.95 -40.62 80.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.348 -0.845 . . . . 0.0 109.953 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.8 m -61.43 -40.52 94.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.186 -0.946 . . . . 0.0 109.415 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.297 -0.877 . . . . 0.0 109.585 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.68 -36.67 79.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.436 -0.79 . . . . 0.0 109.453 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 17.8 tttp -61.91 -40.54 95.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 108.987 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.66 -42.34 98.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.877 . . . . 0.0 109.115 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.32 -42.01 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.07 -38.82 87.56 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.612 -0.68 . . . . 0.0 109.964 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.0 108.909 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.98 -40.37 91.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.837 . . . . 0.0 108.753 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -58.92 -43.79 91.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.483 -0.761 . . . . 0.0 109.668 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 156' ' ' ILE . 87.9 mt -69.64 -50.16 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.89 . . . . 0.0 110.641 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.68 -36.55 82.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 110.477 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.484 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.3 tp -60.05 -37.35 79.57 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 -41.72 90.41 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -59.41 -38.05 79.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.42 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.33 -35.21 75.11 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.56 71.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.507 -0.746 . . . . 0.0 109.443 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.551 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -81.29 -13.13 58.77 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.17 -0.956 . . . . 0.0 109.245 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.47 80.9 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.75 -28.97 60.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.438 -1.036 . . . . 0.0 109.909 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.31 130.99 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.576 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.607 ' C ' ' H ' ' B' ' 130' ' ' ILE . 73.0 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -74.94 20.1 0.13 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.607 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.1 tt -66.36 -42.84 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.48 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 88.6 m-20 -70.65 -42.29 71.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.711 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -67.25 -44.16 80.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.681 0.753 . . . . 0.0 109.084 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.779 0.799 . . . . 0.0 109.556 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 36.1 mtp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.92 0.866 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.19 -33.64 69.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.216 -0.927 . . . . 0.0 108.959 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.59 -36.43 76.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.162 -0.961 . . . . 0.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.24 -33.24 67.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.58 -30.06 47.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 119.139 -1.025 . . . . 0.0 108.338 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.36 -38.13 73.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.37 -35.86 74.69 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.34 84.02 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.93 -38.8 70.77 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.896 -1.355 . . . . 0.0 107.869 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.566 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 79.8 tt0 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.55 -42.34 74.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 0.0 108.764 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.65 -40.62 92.68 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.3 tm-20 -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.646 -0.659 . . . . 0.0 109.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.67 -50.44 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.276 -0.89 . . . . 0.0 110.45 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -33.09 74.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 109.147 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.61 95.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.379 -0.826 . . . . 0.0 109.513 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 89.0 mtp -64.33 -40.06 95.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.005 . . . . 0.0 109.47 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.12 -39.12 88.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.861 . . . . 0.0 109.336 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.6 m-20 171.67 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.496 -0.752 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.15 -35.83 72.1 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.014 -1.054 . . . . 0.0 108.772 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.3 m -85.59 4.86 34.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.72 97.98 0.06 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -120.56 153.01 37.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.587 -0.949 . . . . 0.0 109.13 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 mp -55.63 -34.01 64.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.246 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.35 -33.7 71.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -75.53 -24.15 56.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.525 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.5 mt -102.23 132.88 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 108.621 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 77.1 p -59.54 68.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.457 -0.777 . . . . 0.0 110.476 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.8 t0 -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.83 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.26 75.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.973 -1.079 . . . . 0.0 111.745 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.64 67.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.667 -1.271 . . . . 0.0 109.699 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.7 -38.35 90.07 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.756 -0.59 . . . . 0.0 110.363 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.1 m-20 -61.49 -43.13 99.41 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.25 -0.906 . . . . 0.0 110.509 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.103 -0.998 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.551 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.62 -36.97 85.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.228 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.39 -35.46 79.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 110.597 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.9 m-20 -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.976 -1.077 . . . . 0.0 108.918 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.48 -43.07 67.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.001 -1.062 . . . . 0.0 108.186 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.91 -37.79 88.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.544 -0.722 . . . . 0.0 109.612 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.78 73.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.038 -1.039 . . . . 0.0 108.686 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.17 -41.9 97.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.409 ' OD2' ' CE ' ' A' ' 118' ' ' LYS . 81.0 m-20 -93.36 -32.95 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.106 -0.996 . . . . 0.0 110.633 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.3 -1.57 0 O-C-N 121.145 -0.972 . . . . 0.0 109.448 -179.652 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.5 -36.84 79.31 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.85 93.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 109.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -59.64 -43.01 94.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.324 -0.86 . . . . 0.0 109.246 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.3 -43.32 96.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.37 -46.06 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 0.0 109.582 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.14 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.336 -0.852 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.2 m -62.03 -38.64 89.44 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.0 109.465 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.03 91.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.2 -0.937 . . . . 0.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -31.15 70.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.181 -0.949 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.98 -42.97 99.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.228 -0.92 . . . . 0.0 109.363 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.42 -37.42 87.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.388 -0.82 . . . . 0.0 109.727 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.85 -42.14 97.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.059 -1.026 . . . . 0.0 108.725 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -60.83 -30.99 70.43 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.55 -12.08 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.527 -0.733 . . . . 0.0 109.824 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.41 5.06 63.76 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.457 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.7 mt -95.98 69.69 2.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.98 -1.306 . . . . 0.0 109.39 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.46 -33.73 87.25 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.8 mt -57.63 -43.21 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.025 -1.28 . . . . 0.0 109.985 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -66.42 -47.75 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.941 -1.099 . . . . 0.0 108.727 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.91 -32.68 80.66 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.688 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.9 t80 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -1.105 . . . . 0.0 109.955 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 41.6 m-85 -67.31 -36.56 81.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 110.271 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.8 -41.6 99.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.04 . . . . 0.0 109.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.2 -39.99 94.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 108.919 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.17 -40.88 94.91 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.425 -0.797 . . . . 0.0 109.231 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 17.7 t80 -65.08 -42.34 94.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.14 82.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.062 -1.024 . . . . 0.0 109.935 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.7 -46.34 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 110.277 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HB3' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.1 -31.89 73.14 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.293 -0.88 . . . . 0.0 110.089 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.476 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -60.88 -45.57 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.975 . . . . 0.0 109.548 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.39 -46.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.319 -0.863 . . . . 0.0 109.375 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.59 -36.43 83.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.2 p -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -88.2 122.59 31.93 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.451 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.09 -37.46 85.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.887 . . . . 0.0 109.677 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -86.45 125.89 34.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.0 109.986 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -134.56 142.74 47.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.826 . . . . 0.0 109.589 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.15 159.83 19.64 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -52.95 -34.68 56.79 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.85 -1.156 . . . . 0.0 108.425 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.29 -44.97 67.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.349 -0.844 . . . . 0.0 109.806 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.409 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.5 mtp -69.55 -40.85 76.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.998 -1.063 . . . . 0.0 109.95 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 m -62.47 -43.51 98.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.589 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.24 81.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.326 -0.859 . . . . 0.0 109.773 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.59 -41.12 98.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.319 -0.863 . . . . 0.0 109.652 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.65 87.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.5 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.4 -45.87 92.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 110.419 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.45 -37.93 76.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.673 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.28 -37.22 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.23 -0.919 . . . . 0.0 110.012 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.6 mt -58.66 -39.37 80.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.27 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.325 -0.859 . . . . 0.0 109.358 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.6 m -64.19 -42.84 96.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.367 -0.833 . . . . 0.0 109.928 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.44 -51.35 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 109.488 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.71 -37.86 85.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.76 87.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.0 109.216 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.2 t80 -68.61 -48.88 62.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.439 -0.788 . . . . 0.0 109.718 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.5 tttt -63.32 -39.18 93.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.92 -34.03 76.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.576 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.21 -31.53 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.253 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 75.4 mt -123.82 10.39 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.573 -0.705 . . . . 0.0 109.833 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.56 -37.73 61.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.13 65.6 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.41 -38.57 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.064 -1.257 . . . . 0.0 109.06 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.39 -29.36 1.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.02 81.87 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.422 -0.799 . . . . 0.0 109.383 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.02 -43.36 86.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.554 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.64 -39.41 93.65 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.7 t -160.88 97.66 1.17 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.3 p30 -96.26 7.07 47.38 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.232 -0.918 . . . . 0.0 109.598 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.94 -75.73 0.52 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -67.14 -39.48 86.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 111.365 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.76 -35.44 74.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.508 -1.37 . . . . 0.0 109.881 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.592 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -60.18 -45.26 93.74 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.096 -1.002 . . . . 0.0 109.596 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.1 -42.14 95.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 108.274 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.464 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 7.8 ttt -58.83 -36.47 74.58 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.49 -32.71 71.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.677 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -56.84 -37.66 71.57 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 63.1 mt -60.33 -41.22 93.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.555 -0.716 . . . . 0.0 109.647 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -85.34 -45.34 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.272 -0.893 . . . . 0.0 111.412 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 88.2 m-70 -73.55 -46.98 44.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 0.0 111.164 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -81.37 100.52 9.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.937 -1.102 . . . . 0.0 109.444 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -37.25 86.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.416 -0.803 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -47.11 84.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.253 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.96 -41.91 95.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.84 88.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 108.918 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -45.58 69.69 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.446 -0.784 . . . . 0.0 109.659 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.87 -47.25 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.151 -0.968 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -63.86 -43.57 95.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.151 -0.968 . . . . 0.0 109.279 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.79 -42.7 99.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 108.635 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.41 -41.47 96.61 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.476 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.2 m120 -62.74 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 0.0 109.415 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -65.56 -49.58 68.32 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.631 -0.828 . . . . 0.0 108.955 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 m -63.12 -45.13 93.43 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.37 -0.831 . . . . 0.0 109.175 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.9 mmm -63.5 -40.07 96.09 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.323 -0.861 . . . . 0.0 109.477 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 24.7 m -63.0 -46.09 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 109.263 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.81 -45.8 84.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.272 -0.893 . . . . 0.0 108.878 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -62.0 -39.99 94.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.615 -0.678 . . . . 0.0 109.793 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 50.0 t-20 -59.43 -38.06 79.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.463 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.13 -39.51 93.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.695 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -63.48 -45.72 89.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.75 -36.64 80.9 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.4 tttt -60.79 -46.37 90.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.56 -36.97 85.93 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -59.43 -32.18 69.97 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 18.3 tttt -58.84 -39.86 82.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.765 -0.584 . . . . 0.0 109.976 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.9 m-20 -169.24 -22.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.22 -0.925 . . . . 0.0 110.508 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.77 157.7 3.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.29 140.85 79.42 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.888 2.392 . . . . 0.0 112.664 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -106.35 137.71 43.83 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.51 172.44 17.16 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.99 -1.069 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.46 -39.18 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.683 -0.636 . . . . 0.0 109.305 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.3 -42.61 77.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.993 -1.067 . . . . 0.0 108.769 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.32 -37.19 84.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.242 -0.911 . . . . 0.0 108.883 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -58.88 -47.7 84.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.466 -0.771 . . . . 0.0 109.976 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -67.61 -39.01 84.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 109.611 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 m -61.71 -39.23 90.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.835 . . . . 0.0 109.79 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.85 -41.98 98.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.112 -0.992 . . . . 0.0 109.347 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.473 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.0 m95 -62.08 -37.89 86.73 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 108.998 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -40.83 92.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.434 -0.791 . . . . 0.0 109.248 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.84 -40.07 94.03 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.446 -0.784 . . . . 0.0 109.65 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.34 -42.52 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.929 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.26 -40.88 97.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.88 -40.83 94.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.297 -0.877 . . . . 0.0 110.433 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.22 -44.83 90.69 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.085 -1.009 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.36 -36.31 81.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 0.0 109.955 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.528 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -66.09 -42.97 88.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.218 -0.926 . . . . 0.0 109.87 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.528 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.4 mt -59.4 -43.14 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 110.204 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.84 -45.26 71.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.114 -0.991 . . . . 0.0 110.261 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 33' ' ' GLU . 4.8 t60 -66.27 -46.32 77.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 110.698 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -31.5 71.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.282 -0.886 . . . . 0.0 111.635 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -137.29 55.47 1.81 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.813 -1.18 . . . . 0.0 111.269 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -62.22 -38.08 87.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.9 -1.125 . . . . 0.0 109.313 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.14 -28.89 67.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 111.451 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -91.89 0.78 57.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.731 -1.231 . . . . 0.0 110.515 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.98 126.75 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.356 -0.84 . . . . 0.0 109.253 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -70.85 160.09 33.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.08 -38.65 91.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.1 m -65.39 -45.29 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -62.98 -39.24 94.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 0.0 109.339 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 47.2 m -61.3 -39.74 91.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.398 -0.814 . . . . 0.0 109.541 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.84 -39.43 77.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.715 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 m -61.94 -41.04 97.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.88 -40.84 91.96 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.421 -0.8 . . . . 0.0 109.658 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.65 -36.53 78.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.72 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.558 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 94.8 mtt-85 -61.23 -42.33 98.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 108.963 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.02 -43.04 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.426 -0.796 . . . . 0.0 108.881 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.6 mmtt -61.06 -40.53 93.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.569 -0.707 . . . . 0.0 109.664 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.73 -43.45 85.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 1.9 m -64.63 -42.4 95.5 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -58.89 -43.9 91.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.476 -0.765 . . . . 0.0 109.757 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 84.2 mt -69.48 -50.12 53.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.619 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.448 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 0.9 OUTLIER -66.96 -36.33 81.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.16 -0.963 . . . . 0.0 110.614 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.473 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 32.7 tp -60.01 -37.05 78.6 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.5 m -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.547 -0.72 . . . . 0.0 109.914 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.5 -38.55 81.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.92 -34.76 73.64 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.063 -1.023 . . . . 0.0 108.272 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.94 71.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.527 -0.733 . . . . 0.0 109.564 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.562 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 53.5 mttm -81.54 -13.42 58.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.164 -0.96 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.25 12.4 80.77 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.58 -29.2 61.24 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.431 -1.041 . . . . 0.0 109.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.422 HG23 HD11 ' A' ' 166' ' ' ILE . 17.5 mm -102.59 129.88 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.962 . . . . 0.0 108.936 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.638 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.618 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.618 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.7 m120 -74.91 19.78 0.14 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.569 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.7 tt -64.81 -39.55 86.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 92.4 m-20 -72.98 -45.41 58.1 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.508 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' B' ' 132' ' ' LYS . 0.7 OUTLIER -68.4 -40.52 81.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 109.904 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.45 -0.781 . . . . 0.0 110.593 -179.174 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.506 0.67 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -57.01 -33.92 67.64 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.291 -0.881 . . . . 0.0 108.985 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.25 -38.32 79.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 0.0 108.908 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.01 -34.08 71.46 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.262 -0.899 . . . . 0.0 108.582 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.03 -31.01 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.87 -37.92 69.46 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . 0.469 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 7.1 tt0 -59.12 -36.37 75.07 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.27 80.8 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -55.88 -39.13 71.11 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.79 -1.418 . . . . 0.0 107.922 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.5 tt0 -61.7 -34.38 75.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.465 -0.772 . . . . 0.0 108.987 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.3 tt -55.06 -45.1 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 108.789 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.96 -39.78 93.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 109.306 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.542 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 1.8 tm-20 -61.65 -38.91 89.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.494 -0.754 . . . . 0.0 109.922 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.03 -50.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.298 -0.876 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.29 -33.81 76.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 109.384 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -63.07 -43.23 99.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.249 -0.907 . . . . 0.0 109.493 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 59.3 mtt -69.12 -38.46 78.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 109.682 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.67 -40.08 90.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.446 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.618 ' N ' HD21 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 173.54 103.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.472 -0.767 . . . . 0.0 109.257 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 86.8 m-20 -58.35 -35.77 72.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.22 -0.925 . . . . 0.0 109.11 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.9 p -83.06 2.82 33.2 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.96 0.06 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -122.46 152.63 40.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.519 -0.989 . . . . 0.0 109.205 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.24 -34.41 66.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.444 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.47 -33.78 71.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.442 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -75.59 -23.41 56.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 0.0 109.603 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.3 mt -102.39 131.97 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.751 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.6 m -58.93 70.47 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.425 -0.797 . . . . 0.0 110.407 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.2 t0 -63.13 -36.73 84.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.148 -0.97 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.18 76.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.849 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -42.76 67.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.729 -1.232 . . . . 0.0 109.723 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.79 -38.37 90.4 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.64 -0.663 . . . . 0.0 110.344 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.5 m-20 -61.38 -43.01 99.61 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.0 110.544 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.89 80.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.019 -1.05 . . . . 0.0 109.891 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.562 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.42 -36.59 84.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.34 -35.1 78.7 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.637 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.592 ' O ' ' NE2' ' B' ' 180' ' ' GLN . 30.7 m-20 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.916 -1.115 . . . . 0.0 108.983 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.04 71.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.948 -1.095 . . . . 0.0 108.171 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 18.0 tp -64.5 -36.46 84.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.14 69.38 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.924 -1.11 . . . . 0.0 108.729 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . 0.722 ' N ' HE21 ' B' ' 180' ' ' GLN . 0.0 OUTLIER -65.19 -28.11 69.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.414 -0.803 . . . . 0.0 109.283 179.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.19 -53.5 56.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 110.532 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -76.84 -40.15 48.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.299 -1.595 0 O-C-N 121.476 -0.765 . . . . 0.0 109.083 -179.851 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -60.55 -36.76 79.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.353 -0.842 . . . . 0.0 109.354 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.0 109.608 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.1 83.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.93 . . . . 0.0 110.061 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -59.92 -39.66 86.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.141 -0.974 . . . . 0.0 109.227 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.31 -39.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.95 -45.51 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -41.79 82.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 108.867 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -61.25 -38.73 87.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.417 -0.802 . . . . 0.0 108.983 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.9 83.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 108.693 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -60.88 -32.03 71.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.431 -0.793 . . . . 0.0 109.132 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -60.71 -40.61 92.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.39 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -63.73 -39.02 93.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.436 -0.79 . . . . 0.0 109.899 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.12 -40.59 94.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.007 -1.058 . . . . 0.0 108.994 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.0 -30.81 70.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.433 -0.792 . . . . 0.0 109.384 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.58 -7.52 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.381 -0.825 . . . . 0.0 109.86 -179.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.62 5.3 63.23 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.499 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' H ' HG13 ' A' ' 18' ' ' VAL . 70.5 mt -99.56 65.3 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.019 -1.283 . . . . 0.0 109.449 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -31.07 77.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.5 mt -57.24 -43.05 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.018 -1.283 . . . . 0.0 109.641 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.53 -47.11 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.643 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -33.49 83.68 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.9 t80 -59.16 -48.86 80.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -1.051 . . . . 0.0 109.797 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.0 m-85 -67.3 -35.85 80.3 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.245 -0.909 . . . . 0.0 109.953 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.09 -41.74 94.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.049 . . . . 0.0 110.426 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.45 -39.86 92.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.922 -1.111 . . . . 0.0 108.812 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.21 -38.61 91.66 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.443 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 55.6 t80 -63.71 -44.12 94.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.668 -0.645 . . . . 0.0 110.13 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.69 88.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.2 t -61.51 -48.57 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.058 -1.026 . . . . 0.0 110.311 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.09 -32.42 73.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.611 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.56 -46.2 90.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.21 -45.93 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.661 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.29 -36.75 84.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.365 -0.835 . . . . 0.0 109.699 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -67.92 -14.52 63.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -89.72 124.23 34.43 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.503 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -35.06 78.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.92 . . . . 0.0 109.937 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -82.87 125.72 31.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.009 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -139.65 141.12 37.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.286 -0.884 . . . . 0.0 109.655 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.33 162.6 16.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -53.59 -35.21 60.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.882 -1.136 . . . . 0.0 108.618 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.24 -45.23 66.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 110.004 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.404 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -69.41 -40.7 77.15 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.006 -1.059 . . . . 0.0 109.887 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.5 m -62.38 -43.1 99.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.38 74.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.36 -40.55 96.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.761 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.96 88.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 109.569 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -60.8 -45.76 93.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 110.488 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.27 -38.11 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 109.783 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.59 -37.01 86.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.41 -38.74 78.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.927 -1.108 . . . . 0.0 109.332 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.224 -0.922 . . . . 0.0 109.303 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.2 m -65.9 -46.79 77.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 109.711 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mt -59.45 -48.38 87.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.64 -38.75 92.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.038 -1.039 . . . . 0.0 109.112 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.12 -41.57 77.19 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.297 -0.877 . . . . 0.0 108.931 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.9 t80 -65.53 -48.78 71.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.426 -0.796 . . . . 0.0 109.729 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 64' ' ' GLY . 63.3 tttt -65.39 -42.33 92.76 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.291 -0.881 . . . . 0.0 109.132 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -63.17 -33.67 75.97 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -58.45 -31.06 67.42 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 68.8 mt -122.71 8.95 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.601 -0.687 . . . . 0.0 109.705 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.4 -38.18 61.87 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.51 4.37 62.34 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.225 -1.162 . . . . 0.0 110.431 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.69 -37.48 81.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.912 -1.346 . . . . 0.0 108.978 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -29.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.65 -29.99 71.04 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' HE2' ' A' ' 77' ' ' HIS . . . -59.85 -38.16 81.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.437 -0.79 . . . . 0.0 109.259 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.76 -42.79 84.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -64.23 -39.37 93.83 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -161.57 97.49 1.09 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -95.64 4.7 52.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -94.7 -75.32 0.52 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.193 -0.942 . . . . 0.0 110.206 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.1 p -67.01 -38.15 85.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.791 . . . . 0.0 111.405 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.54 -35.39 77.36 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.606 -1.309 . . . . 0.0 109.89 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.7 m170 -59.79 -45.11 93.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.993 . . . . 0.0 109.443 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -65.01 -42.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.638 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.456 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 8.2 ttt -58.74 -36.42 74.3 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.36 -32.71 71.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -56.79 -37.23 70.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.49 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 63.7 mt -60.14 -40.7 90.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 0.0 109.565 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.5 mt -86.22 -45.56 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.7 m-70 -72.71 -47.97 42.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 111.129 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.62 101.07 9.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.876 -1.14 . . . . 0.0 109.612 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.53 -35.75 81.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.402 -0.811 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.91 -47.93 82.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 0.0 110.532 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -67.53 -42.44 82.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.11 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.62 87.96 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HE2' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.26 -46.14 69.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.491 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.0 -43.11 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.886 . . . . 0.0 109.428 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.88 -44.93 94.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.26 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 tpt -64.26 -44.61 91.23 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.226 -0.921 . . . . 0.0 108.673 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.47 -43.58 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.6 -41.79 97.94 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.378 -0.826 . . . . 0.0 109.0 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' O ' ' OG ' ' A' ' 99' ' ' SER . 62.8 t80 -66.49 -49.24 67.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 108.9 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.8 m -61.73 -43.71 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.461 -0.775 . . . . 0.0 109.025 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.2 -37.81 86.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.398 -0.814 . . . . 0.0 109.55 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 96' ' ' PHE . 84.1 p -64.66 -44.11 91.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -0.916 . . . . 0.0 109.208 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.594 ' CD2' ' HG ' ' A' ' 124' ' ' CYS . 40.5 tp -67.68 -42.22 82.45 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.412 ' CD2' ' CD1' ' B' ' 150' ' ' LEU . 41.1 t80 -62.21 -43.31 99.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -63.16 -40.5 97.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 109.709 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.68 -41.09 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.782 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.8 -45.45 89.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.0 109.951 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.16 -35.77 80.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.222 -0.924 . . . . 0.0 108.736 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.57 -45.14 92.73 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.89 -36.63 84.58 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 10.3 tp -60.15 -33.19 71.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.618 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 49.7 tttt -59.13 -38.94 80.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.628 -0.67 . . . . 0.0 110.32 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -167.57 -22.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.68 155.85 3.85 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.29 141.72 88.68 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.816 2.344 . . . . 0.0 112.377 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -105.85 136.05 46.18 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -153.04 173.47 15.4 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.952 -1.092 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.36 -39.68 53.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.7 ttm -57.22 -42.58 81.63 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.999 -1.063 . . . . 0.0 108.774 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.37 -37.14 84.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.332 -0.855 . . . . 0.0 109.069 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.4 tttt -57.35 -47.03 82.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.498 -0.751 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -66.73 -39.64 88.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.574 -0.703 . . . . 0.0 109.77 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -58.49 -40.28 82.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 110.356 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.34 -41.86 98.9 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.985 -1.072 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.492 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 51.7 m95 -62.9 -38.19 89.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.323 -0.861 . . . . 0.0 109.027 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -41.31 93.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.491 -0.756 . . . . 0.0 109.617 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.594 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 80.5 m -62.53 -40.36 96.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.69 -42.42 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.54 -41.06 93.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.97 . . . . 0.0 109.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.87 -40.57 97.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.89 . . . . 0.0 110.166 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -64.46 -43.87 92.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.183 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.4 m -62.22 -36.64 82.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.155 -0.965 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.407 ' SG ' ' CD1' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.12 -40.54 90.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 0.0 109.836 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.401 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.38 -43.06 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.141 -0.974 . . . . 0.0 110.388 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.57 -45.27 76.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.952 -1.092 . . . . 0.0 110.201 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.586 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.2 t60 -67.3 -42.81 83.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.926 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.407 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 86.6 mt -62.77 -32.2 73.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.285 -0.884 . . . . 0.0 112.021 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -142.32 60.14 1.45 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.635 -178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.84 -38.17 89.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.115 . . . . 0.0 109.083 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -27.67 66.88 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.57 -0.706 . . . . 0.0 111.299 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.403 HD21 ' HE2' ' A' ' 90' ' ' LYS . 8.2 t30 -91.55 0.72 57.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.815 -1.178 . . . . 0.0 110.267 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.5 mt -117.79 130.12 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.028 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -70.43 159.87 33.4 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.193 -0.942 . . . . 0.0 109.264 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.2 -38.54 91.41 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.229 -0.919 . . . . 0.0 109.394 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.3 m -66.04 -43.73 86.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.405 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.0 t -62.12 -39.05 91.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 56.0 m -60.58 -41.23 94.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.0 m -61.79 -40.54 95.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.256 -0.902 . . . . 0.0 109.536 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.356 -0.84 . . . . 0.0 109.639 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.83 -36.7 79.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.476 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 16.3 tttp -61.98 -42.13 98.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.942 . . . . 0.0 109.036 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -62.41 -42.21 99.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.219 -0.925 . . . . 0.0 109.034 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.25 -41.98 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.6 mmtt -60.87 -37.85 83.56 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.745 -0.597 . . . . 0.0 109.922 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -58.07 -43.69 87.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 109.137 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.97 -41.09 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.924 . . . . 0.0 108.829 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -58.96 -43.97 91.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.71 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.447 ' O ' ' OG ' ' A' ' 159' ' ' SER . 85.7 mt -69.51 -50.04 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 110.614 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -66.57 -36.46 82.69 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.21 -0.931 . . . . 0.0 110.572 -179.332 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.492 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 36.0 tp -60.02 -37.61 80.28 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 108.407 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 80.1 p -67.21 -37.52 83.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.408 -0.807 . . . . 0.0 109.739 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.03 -38.75 87.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.915 . . . . 0.0 109.266 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.06 -34.99 74.17 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.99 72.03 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.495 -0.753 . . . . 0.0 109.384 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.519 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 50.5 mttm -81.73 -13.33 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.177 -0.952 . . . . 0.0 109.195 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.8 80.64 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -74.78 -29.26 61.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.582 -0.952 . . . . 0.0 109.976 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 166' ' ' ILE . 17.8 mm -102.65 130.6 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.155 -0.966 . . . . 0.0 109.009 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.551 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.585 ' C ' ' H ' ' B' ' 130' ' ' ILE . 79.1 mt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.491 HD21 ' N ' ' B' ' 129' ' ' ASN . 2.1 m120 -75.54 19.41 0.19 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.585 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.3 tt -65.94 -41.03 89.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.52 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.5 m-20 -67.97 -41.21 82.73 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.304 -0.959 . . . . 0.0 109.095 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -70.05 -46.11 65.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.653 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.69 0.757 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.9 mm? -58.94 -33.02 70.11 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.24 -37.06 74.14 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.24 -37.52 83.36 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.77 -29.77 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.978 . . . . 0.0 108.952 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.29 -36.8 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.54 -36.28 75.84 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.64 83.24 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.06 -37.54 71.96 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.897 -1.355 . . . . 0.0 107.801 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.44 -34.69 71.11 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.2 tt -55.44 -45.17 76.85 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -39.7 84.79 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.465 -0.772 . . . . 0.0 109.328 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.541 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.84 -38.74 89.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.783 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.26 -50.78 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 0.0 110.364 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -66.53 -33.04 74.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.198 -0.939 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.11 98.3 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.33 -0.857 . . . . 0.0 109.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.618 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 43.8 mtt -66.55 -38.81 87.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.038 -1.039 . . . . 0.0 109.531 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 20.2 t-20 -60.8 -39.3 88.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.24 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.0 m-20 170.41 104.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.534 -0.729 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.34 -35.75 72.38 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.021 -1.05 . . . . 0.0 108.715 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.6 m -84.9 4.46 33.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.66 98.2 0.07 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -118.24 152.2 36.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.537 -0.978 . . . . 0.0 109.237 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.26 -33.12 62.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 0.0 109.165 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.03 -33.0 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.27 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -75.44 -24.73 57.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.582 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.5 mt -103.13 131.51 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.618 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 21.8 t -58.09 72.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.451 -0.78 . . . . 0.0 110.504 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.8 t0 -64.36 -36.87 85.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.52 -49.14 74.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.034 -1.041 . . . . 0.0 111.862 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -42.88 67.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.71 -1.244 . . . . 0.0 109.723 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.63 -38.7 91.25 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.638 -0.664 . . . . 0.0 110.491 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.4 m-20 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.132 -0.98 . . . . 0.0 110.153 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.65 82.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 109.793 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.519 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.4 mt-10 -66.42 -37.62 85.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.249 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 19.5 tp -67.18 -35.82 80.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.045 -1.035 . . . . 0.0 110.513 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.7 m-20 -62.07 -38.81 90.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.962 -1.086 . . . . 0.0 108.875 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.97 66.83 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 16.9 tp -65.55 -38.57 89.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.554 -0.716 . . . . 0.0 109.979 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.28 77.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.034 -1.041 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.28 -36.62 80.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.42 -44.95 81.53 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.583 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 28.5 m-20 -76.26 -36.17 58.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.9 . . . . 0.0 110.364 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.301 -1.532 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 -179.262 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.08 -38.07 81.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.159 -0.963 . . . . 0.0 109.387 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.61 93.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.356 -0.84 . . . . 0.0 109.373 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.78 96.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.966 . . . . 0.0 109.74 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.71 -42.38 92.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.1 -39.98 84.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.02 -47.65 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 0.0 109.186 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.06 81.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.5 m -61.79 -38.66 88.9 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.019 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.37 -32.68 72.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.434 -0.791 . . . . 0.0 109.53 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.9 -41.78 96.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 109.626 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.13 -39.22 93.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.266 -0.896 . . . . 0.0 109.987 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.18 -39.34 89.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.921 -1.112 . . . . 0.0 109.083 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.78 -33.19 73.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.375 -0.828 . . . . 0.0 110.068 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.05 0.1 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.55 63.47 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -98.63 45.51 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.971 -1.311 . . . . 0.0 109.095 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.16 -34.24 52.85 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.59 -42.87 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.294 . . . . 0.0 109.173 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.29 -48.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.064 -1.023 . . . . 0.0 108.432 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.72 80.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.9 t80 -58.72 -47.69 83.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.334 -1.098 . . . . 0.0 109.637 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.3 m-85 -67.12 -34.93 78.66 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.226 -0.921 . . . . 0.0 109.622 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.66 -41.0 96.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 0.0 109.964 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.51 -39.75 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.001 -1.062 . . . . 0.0 108.793 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.84 -38.8 92.44 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 46.0 t80 -64.68 -43.07 94.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.672 -0.642 . . . . 0.0 110.292 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.16 86.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 110.164 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.89 -47.32 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.059 -1.026 . . . . 0.0 110.343 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.598 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -64.33 -32.37 73.95 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.931 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.14 -46.3 91.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.975 . . . . 0.0 109.725 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.39 -46.02 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.276 -0.89 . . . . 0.0 109.366 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.99 -37.08 86.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.399 -0.813 . . . . 0.0 109.678 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.3 p -68.17 -14.09 62.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.85 123.01 32.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.31 -36.89 84.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -84.76 125.79 32.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.252 -0.905 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -138.32 143.17 39.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 45' ' ' MET . 49.1 m -114.14 158.99 20.56 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -52.93 -34.66 56.36 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.8 -1.187 . . . . 0.0 108.59 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.26 -42.33 72.29 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.27 -0.894 . . . . 0.0 109.899 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -70.21 -40.56 74.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.979 -1.075 . . . . 0.0 109.772 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -61.56 -42.48 98.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.12 76.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -0.84 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.29 -40.55 96.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.14 -0.975 . . . . 0.0 109.668 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.92 89.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.47 -45.66 92.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.444 -0.785 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.58 -38.29 74.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.02 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.76 -39.5 81.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.061 -1.024 . . . . 0.0 109.235 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.36 -43.58 98.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.0 m -66.94 -46.31 75.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.791 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.31 -48.56 88.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.577 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.39 -37.98 89.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.107 -0.995 . . . . 0.0 108.95 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.69 76.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.2 t80 -65.24 -48.73 72.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.443 -0.786 . . . . 0.0 109.458 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.8 tttt -64.81 -41.19 95.98 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.295 -0.878 . . . . 0.0 109.042 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -63.08 -33.75 76.11 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.33 66.39 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 64.2 mt -123.96 5.61 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.436 -0.79 . . . . 0.0 110.008 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.89 -37.35 21.77 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.09 4.42 63.04 Favored Glycine 0 N--CA 1.49 2.249 0 O-C-N 121.153 -1.204 . . . . 0.0 110.446 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -35.98 80.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.722 -1.458 . . . . 0.0 108.733 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -141.48 -29.67 0.62 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.56 -30.99 71.72 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.56 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.13 -42.12 99.44 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.383 -0.823 . . . . 0.0 109.218 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.97 -39.08 11.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.165 -0.959 . . . . 0.0 108.72 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.12 -39.31 89.52 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.174 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 74' ' ' LYS . 3.5 t -133.43 -61.67 0.81 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.451 -0.78 . . . . 0.0 109.647 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ALA . 61.0 t0 61.95 -13.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.671 -0.643 . . . . 0.0 109.959 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 72' ' ' SER . 87.6 mttt -94.48 -79.69 0.42 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.965 -1.084 . . . . 0.0 109.001 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.5 p -68.29 -35.56 78.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 110.29 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.6 tp -67.92 -37.4 81.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.663 -1.273 . . . . 0.0 109.769 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.35 -44.74 95.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.0 109.346 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.88 -43.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.29 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.467 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.9 ttt -58.81 -38.54 78.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.689 ' ND2' ' NE2' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -60.75 -32.27 71.58 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 85' ' ' ASP . 15.6 m -57.37 -36.92 71.84 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.49 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 56.4 mt -59.44 -40.82 88.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.9 mt -80.27 -44.59 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 110.615 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.689 ' NE2' ' ND2' ' A' ' 80' ' ' ASN . 85.9 m-70 -70.05 -51.36 32.69 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.213 -0.929 . . . . 0.0 111.314 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' CG2' ' A' ' 81' ' ' THR . 83.7 m-20 -77.85 100.24 6.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.968 -1.083 . . . . 0.0 110.348 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.15 -37.26 86.83 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.513 -0.742 . . . . 0.0 109.533 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.11 -47.29 77.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.128 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.03 -41.27 95.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.013 -1.054 . . . . 0.0 108.952 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.51 -37.58 87.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -46.44 67.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.474 -0.766 . . . . 0.0 109.652 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.12 -47.14 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.201 -0.937 . . . . 0.0 109.497 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 109.269 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.2 tpt -62.68 -43.15 99.55 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.89 -44.28 90.14 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.409 HD21 ' HB3' ' B' ' 140' ' ' MET . 87.5 m-20 -62.99 -41.51 99.59 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.428 -0.795 . . . . 0.0 108.93 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.406 ' O ' ' OG ' ' A' ' 99' ' ' SER . 63.3 t80 -65.47 -49.78 67.78 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.4 m -63.33 -43.86 96.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.411 -0.806 . . . . 0.0 109.098 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.4 mmm -62.77 -37.12 85.41 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.315 -0.865 . . . . 0.0 109.735 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 96' ' ' PHE . 86.2 p -62.76 -45.27 93.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.237 -0.914 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 42.4 tp -67.45 -41.12 85.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 108.697 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.1 -41.71 97.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.283 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.78 -40.4 97.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.0 109.902 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.77 -40.22 94.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.729 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 11.7 mmtt -63.38 -45.52 90.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.4 mt -68.42 -35.27 77.4 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.317 -0.864 . . . . 0.0 108.713 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 28.7 tttp -59.8 -43.95 94.22 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.63 -36.8 83.95 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.2 tp -60.33 -32.01 70.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.656 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 16.2 tttt -58.83 -41.0 85.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.5 -0.75 . . . . 0.0 110.145 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 34.9 m-20 -170.85 -23.67 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.98 157.54 1.78 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 142.16 97.07 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.834 2.356 . . . . 0.0 112.566 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -105.74 135.05 47.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.432 -0.792 . . . . 0.0 108.868 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -152.07 175.18 12.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.955 -1.091 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.32 -40.47 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -58.14 -38.73 77.11 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.907 -1.121 . . . . 0.0 108.598 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.55 -40.19 93.81 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.42 -48.86 77.85 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.582 0.706 . . . . 0.0 109.47 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -69.02 -40.46 78.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.532 -0.73 . . . . 0.0 109.697 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 20.3 t -59.83 -40.01 87.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 0.0 109.711 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.277 -0.889 . . . . 0.0 109.422 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.482 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.5 m95 -61.17 -37.05 81.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.903 . . . . 0.0 109.253 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -42.88 92.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.486 -0.758 . . . . 0.0 109.86 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 31.0 m -62.19 -39.37 92.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.255 -0.903 . . . . 0.0 109.866 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.7 mt -58.1 -42.18 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.171 -0.956 . . . . 0.0 110.044 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.62 -40.92 96.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.13 -0.981 . . . . 0.0 109.804 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.33 -39.14 93.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 0.0 110.272 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -64.58 -43.11 94.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.506 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -65.21 -31.93 73.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.046 . . . . 0.0 110.062 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.438 ' HG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -69.16 -41.21 77.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.131 -0.981 . . . . 0.0 109.801 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 131' ' ' ILE . 99.0 mt -59.38 -43.94 91.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 110.321 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 87.2 mt -69.67 -45.48 68.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.934 -1.104 . . . . 0.0 110.147 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.598 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 7.2 t60 -66.99 -45.35 77.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.363 -0.836 . . . . 0.0 111.065 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 92.3 mt -62.46 -30.62 71.38 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 111.456 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -138.41 56.48 1.72 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.791 -1.193 . . . . 0.0 111.287 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 132' ' ' LEU . 29.2 mtmm -62.27 -38.56 89.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.875 -1.141 . . . . 0.0 109.317 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -67.95 -28.54 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.496 -0.753 . . . . 0.0 111.436 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -91.93 0.23 57.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.681 -1.262 . . . . 0.0 110.6 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.433 ' CG2' ' HG1' ' A' ' 144' ' ' THR . 75.8 mt -117.84 126.72 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.286 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 160.09 33.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.2 -38.26 90.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.418 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 49.9 m -64.79 -45.37 86.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.418 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -63.35 -38.77 92.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.83 . . . . 0.0 109.39 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.433 ' HG1' ' CG2' ' A' ' 139' ' ' ILE . 45.5 m -61.63 -39.5 91.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.775 . . . . 0.0 109.449 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.72 -41.18 81.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.38 -0.825 . . . . 0.0 109.763 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.74 -40.82 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.939 . . . . 0.0 109.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.83 -41.26 92.03 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.379 -0.825 . . . . 0.0 109.656 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.13 -36.9 80.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.364 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.15 -40.24 95.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 108.956 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -61.32 -42.14 98.17 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.286 -0.884 . . . . 0.0 109.05 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -66.61 -43.07 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 108.813 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.1 mmtt -60.83 -40.1 91.52 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 109.894 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -57.78 -43.5 85.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 8.3 m -65.99 -42.17 90.12 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.47 -44.01 89.14 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.336 -0.853 . . . . 0.0 109.689 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.63 -50.42 50.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.45 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.2 m-85 -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 110.479 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.482 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.8 -38.6 82.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.5 t -66.24 -42.66 88.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 109.4 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -61.23 -38.29 86.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.573 -0.704 . . . . 0.0 109.632 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.72 -42.8 97.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.241 -0.912 . . . . 0.0 109.816 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.13 -24.48 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.855 . . . . 0.0 109.793 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.587 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -83.74 -3.67 58.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.761 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.61 12.04 84.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.01 -29.06 60.75 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.188 -1.184 . . . . 0.0 109.931 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 22.2 mm -107.27 134.21 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.169 -0.957 . . . . 0.0 109.273 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.595 ' C ' ' H ' ' B' ' 130' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -74.69 20.26 0.13 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.595 ' H ' ' C ' ' B' ' 128' ' ' ILE . 21.0 tt -65.39 -42.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.1 m-20 -71.33 -42.4 68.62 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.364 -0.934 . . . . 0.0 108.816 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -66.72 -44.94 80.26 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.693 0.759 . . . . 0.0 109.074 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.741 0.782 . . . . 0.0 109.425 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.409 ' HB3' HD21 ' A' ' 95' ' ' ASN . 68.7 mtm . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -55.98 -35.92 67.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.127 -0.983 . . . . 0.0 109.177 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.52 -36.49 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 0.0 108.339 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.9 -35.45 66.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.52 -29.58 45.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.041 -1.037 . . . . 0.0 108.542 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.8 -38.75 70.37 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.25 -36.42 75.45 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.14 79.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -55.93 -39.18 71.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.035 -1.273 . . . . 0.0 107.879 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.3 tt0 -59.63 -34.16 72.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.423 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.6 tt -54.84 -45.2 74.46 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.02 -41.22 91.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.295 -0.878 . . . . 0.0 108.951 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -61.66 -37.64 84.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.709 -0.619 . . . . 0.0 109.695 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.06 -50.49 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 110.285 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.67 -33.47 75.72 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.109 -0.994 . . . . 0.0 109.281 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . 0.402 ' HB1' HD22 ' B' ' 159' ' ' ASN . . . -60.08 -42.34 94.36 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.371 -0.831 . . . . 0.0 109.41 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.656 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.3 mtp -65.79 -38.1 88.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 109.545 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.7 -39.17 87.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.97 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . 0.402 HD22 ' HB1' ' B' ' 155' ' ' ALA . 24.6 m120 -58.41 -35.27 71.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.15 -0.969 . . . . 0.0 109.144 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.8 p -82.2 2.25 32.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.25 0.07 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -119.64 153.0 36.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.539 -0.977 . . . . 0.0 109.3 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.404 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 7.0 mp -56.17 -34.21 65.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.37 -33.51 71.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -75.46 -22.4 57.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.585 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.4 mt -102.58 135.02 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.257 -0.902 . . . . 0.0 108.791 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 167' ' ' SER . . . . . 0.533 ' HG ' ' CD1' ' B' ' 171' ' ' LEU . 88.1 p -60.12 68.59 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.399 -0.813 . . . . 0.0 110.217 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.3 t0 -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 110.839 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.03 -48.89 76.8 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.971 -1.08 . . . . 0.0 111.287 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -43.05 67.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.901 -1.124 . . . . 0.0 109.784 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.533 ' CD1' ' HG ' ' B' ' 167' ' ' SER . 83.8 mt -62.9 -38.08 89.54 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.561 -0.712 . . . . 0.0 110.265 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.7 m-20 -60.57 -43.35 97.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.0 110.476 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.22 81.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 0.0 109.81 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.587 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -64.89 -36.72 85.28 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 110.144 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.36 -35.79 81.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.959 -1.088 . . . . 0.0 110.613 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.8 m-20 -61.41 -37.6 84.07 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.501 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.05 73.69 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.29 -35.43 80.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.842 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.94 -41.64 71.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.903 -1.123 . . . . 0.0 108.318 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.86 -34.24 75.64 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.548 -0.72 . . . . 0.0 109.135 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.62 -40.85 96.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 110.785 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -93.63 -18.21 22.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.06 -1.025 . . . . 0.0 110.789 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.299 -1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.269 -179.656 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.42 -36.81 79.05 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.56 93.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.42 97.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.96 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -59.78 -44.91 93.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 0.0 109.102 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.39 -38.94 81.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.2 t -58.5 -45.25 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.175 -0.953 . . . . 0.0 109.102 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.95 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 108.839 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.8 m -62.65 -38.59 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.262 -0.899 . . . . 0.0 108.799 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -60.87 -31.81 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.436 -0.79 . . . . 0.0 109.184 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 0.0 109.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -63.99 -37.22 86.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.343 -0.848 . . . . 0.0 109.768 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.0 -42.23 98.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.092 -1.005 . . . . 0.0 108.676 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -60.98 -30.26 70.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.451 -0.781 . . . . 0.0 108.959 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG11 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.29 -12.12 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.88 64.17 Favored Glycine 0 N--CA 1.493 2.464 0 C-N-CA 119.903 -1.141 . . . . 0.0 110.498 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' H ' HG11 ' A' ' 18' ' ' VAL . 74.3 mt -94.38 62.11 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.953 -1.322 . . . . 0.0 109.397 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.32 71.24 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.48 -43.81 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -1.212 . . . . 0.0 109.494 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.91 -48.04 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.114 -0.992 . . . . 0.0 108.762 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.67 -32.3 78.19 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.036 -1.625 . . . . 0.0 109.036 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.642 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.1 t80 -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.425 -1.044 . . . . 0.0 109.707 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.9 m-85 -67.37 -35.93 80.32 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.975 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.22 -40.88 97.6 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.042 -1.036 . . . . 0.0 109.762 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.78 -39.22 90.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.07 -38.11 89.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.651 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 29.8 t80 -61.95 -47.04 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 109.944 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.15 82.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -0.901 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.46 -47.99 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 110.869 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 95.5 mt-10 -64.63 -32.3 73.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.136 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.6 mp -62.27 -44.63 96.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.078 -1.014 . . . . 0.0 109.775 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -62.98 -47.19 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.245 -0.909 . . . . 0.0 109.512 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.0 -38.16 87.77 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.335 -0.853 . . . . 0.0 109.677 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -78.09 1.62 20.56 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.475 -0.765 . . . . 0.0 109.305 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.14 126.05 36.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.56 -36.62 83.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 0.0 109.702 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -98.19 125.85 43.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -133.33 142.25 48.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.11 159.53 19.93 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -52.25 -36.65 53.08 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.935 -1.103 . . . . 0.0 108.555 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.04 -41.73 77.27 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.316 -0.865 . . . . 0.0 110.061 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.409 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.0 mtp -70.97 -41.97 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.995 -1.066 . . . . 0.0 109.849 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -63.07 -43.6 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 0.0 109.549 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.2 79.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.431 -0.793 . . . . 0.0 109.786 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.32 -40.2 95.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.914 . . . . 0.0 109.729 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.38 90.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.508 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.38 -45.59 93.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.795 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -38.18 74.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.82 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.47 -37.68 88.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.66 -38.77 78.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.191 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.44 -43.77 98.01 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.27 -0.894 . . . . 0.0 109.333 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -68.27 -48.04 66.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.94 . . . . 0.0 109.674 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mt -59.77 -47.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.465 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.73 80.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.281 -0.887 . . . . 0.0 108.956 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.642 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.2 t80 -64.85 -48.7 73.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.821 . . . . 0.0 109.374 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.8 tttt -64.94 -39.93 94.25 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.411 -0.806 . . . . 0.0 109.183 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -63.04 -33.76 76.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.74 -31.06 67.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 69.3 mt -124.26 9.6 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.826 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.06 -37.51 45.79 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.14 64.93 Favored Glycine 0 N--CA 1.489 2.169 0 O-C-N 121.221 -1.164 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.81 -38.14 77.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.901 -1.352 . . . . 0.0 108.893 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.2 -29.58 0.89 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.49 -31.36 72.49 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.26 -42.93 99.77 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.226 -0.921 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.91 -38.81 23.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.189 -0.944 . . . . 0.0 108.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.69 -39.58 91.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.335 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 74' ' ' LYS . 4.4 t -130.16 -60.64 1.01 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.923 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 69' ' ' ALA . 60.3 t0 62.7 -13.59 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.608 -0.683 . . . . 0.0 109.801 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.617 ' H ' ' C ' ' A' ' 72' ' ' SER . 29.4 mttt -95.67 -79.55 0.44 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.019 -1.05 . . . . 0.0 109.22 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -67.92 -36.39 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.345 -0.847 . . . . 0.0 110.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.12 -35.47 81.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.66 -1.275 . . . . 0.0 109.185 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.3 t60 -60.29 -45.05 94.7 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.318 -0.864 . . . . 0.0 109.398 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -65.2 -42.89 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.445 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.472 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.7 ttt -58.25 -36.8 73.75 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.48 -32.19 71.17 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.591 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 21.1 m -57.17 -37.81 72.66 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 77.7 mt -60.36 -40.53 91.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.498 -0.751 . . . . 0.0 109.561 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.3 mt -86.16 -45.07 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.292 -0.88 . . . . 0.0 111.57 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.561 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 94.1 m-70 -76.23 -48.02 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 111.314 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -79.51 98.9 7.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.25 -36.45 84.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.435 -0.791 . . . . 0.0 109.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.97 -47.16 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.0 110.279 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -65.1 -42.06 94.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 109.164 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.06 89.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.704 ' NZ ' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.86 -46.71 78.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.504 -0.748 . . . . 0.0 109.864 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.57 -47.1 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.513 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.54 -41.53 92.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 109.196 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 tpt -62.32 -41.24 98.39 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.17 -42.15 98.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.497 ' ND2' ' CD1' ' B' ' 143' ' ' LEU . 40.8 t30 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.242 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.85 -50.03 72.55 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.048 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.1 m -64.37 -45.25 88.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.349 -0.844 . . . . 0.0 108.851 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.8 mmm -63.39 -38.18 90.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.345 -0.847 . . . . 0.0 109.703 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -61.37 -47.06 87.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.5 -44.34 82.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 108.488 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.94 -41.39 96.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.693 -0.63 . . . . 0.0 110.057 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -62.8 -37.52 87.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 110.387 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.67 -39.08 93.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.018 . . . . 0.0 110.327 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -62.57 -45.29 93.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 109.957 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.8 -35.98 79.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.493 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -59.73 -43.5 94.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.1 mt-30 -65.61 -36.89 85.03 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -59.95 -33.9 72.54 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.505 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 62.1 tttt -59.42 -45.25 92.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.688 -0.632 . . . . 0.0 110.219 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 68.6 m-20 -160.84 -2.51 0.06 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.18 -0.95 . . . . 0.0 111.097 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -72.97 157.84 52.68 Favored Glycine 0 N--CA 1.493 2.465 0 O-C-N 120.662 -1.274 . . . . 0.0 109.935 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.9 140.75 74.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.738 2.292 . . . . 0.0 112.271 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -105.86 134.77 48.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.024 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -154.77 172.57 17.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.72 -38.24 50.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.674 -0.641 . . . . 0.0 109.6 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.62 -42.76 75.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.983 -1.073 . . . . 0.0 109.1 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.4 tp -62.58 -35.6 80.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.897 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.569 ' HZ1' ' CG ' ' B' ' 182' ' ' ASP . 85.5 tttt -57.82 -47.16 83.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.797 . . . . 0.0 110.213 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -68.11 -39.14 82.86 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.432 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 68.3 p -64.78 -35.31 80.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.081 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 120' ' ' SER . 77.6 mt -63.37 -40.79 98.22 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.593 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.469 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.7 m95 -62.34 -36.81 83.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.502 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.44 95.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.3 m -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.365 -0.835 . . . . 0.0 109.776 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.6 -42.18 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.31 -41.22 98.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.092 -1.005 . . . . 0.0 110.261 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.82 -38.75 89.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.562 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.56 -43.98 95.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.92 -36.57 81.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.076 -1.015 . . . . 0.0 110.009 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.651 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 93.0 m -65.38 -43.47 90.59 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.268 -0.895 . . . . 0.0 110.203 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.42 -42.51 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.071 -1.018 . . . . 0.0 110.348 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.82 -45.29 71.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.93 -1.106 . . . . 0.0 110.034 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.609 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.8 t60 -69.61 -38.55 77.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 110.626 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.99 -32.37 72.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 111.275 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -143.3 58.7 1.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.747 -1.22 . . . . 0.0 111.258 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.73 -37.79 85.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.162 . . . . 0.0 109.354 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -28.91 68.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.56 -0.713 . . . . 0.0 111.104 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.704 HD21 ' NZ ' ' A' ' 90' ' ' LYS . 10.3 t30 -92.06 0.32 57.47 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.825 -1.172 . . . . 0.0 110.385 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 139' ' ' ILE . 79.7 mt -117.87 127.08 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 109.27 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.73 160.04 33.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.256 -0.903 . . . . 0.0 109.37 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.01 -38.49 91.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.952 . . . . 0.0 109.399 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.8 m -65.3 -45.12 85.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.464 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -63.06 -38.62 91.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 109.446 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.4 m -61.48 -39.92 92.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.19 -38.82 77.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 21.8 m -61.78 -41.47 97.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.159 -0.963 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.404 ' HA ' HH11 ' A' ' 150' ' ' ARG . 83.8 mt -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.46 -0.775 . . . . 0.0 109.628 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.76 -36.83 79.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.464 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 19.0 tttp -61.97 -41.06 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.93 . . . . 0.0 109.028 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 146' ' ' SER . 68.5 mtt85 -61.04 -41.91 97.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.032 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.9 mt -65.42 -43.93 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.8 mmtt -61.25 -39.14 89.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.617 -0.677 . . . . 0.0 109.763 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.53 -43.67 89.28 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.319 -0.863 . . . . 0.0 108.707 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.4 m -66.53 -41.28 89.0 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -58.85 -44.02 90.91 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.427 -0.795 . . . . 0.0 109.706 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 156' ' ' ILE . 89.5 mt -69.5 -50.2 53.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 110.492 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 2.1 m-85 -66.6 -35.89 81.28 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 110.167 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.469 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -60.11 -39.5 86.4 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.103 -0.998 . . . . 0.0 108.734 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.6 t -66.96 -45.45 77.69 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.264 -0.898 . . . . 0.0 109.553 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -60.88 -38.2 84.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.751 . . . . 0.0 109.437 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.7 -36.78 85.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.35 -0.844 . . . . 0.0 109.373 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.89 68.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.434 -0.791 . . . . 0.0 110.837 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.411 ' HZ2' HD21 ' B' ' 171' ' ' LEU . 49.1 mtmt -86.17 -1.77 57.74 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.845 -1.16 . . . . 0.0 110.206 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.99 16.06 79.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -74.36 -28.24 61.04 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.186 -1.185 . . . . 0.0 109.227 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 22.3 mm -107.29 133.35 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.352 -0.843 . . . . 0.0 109.197 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.567 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.618 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.3 mt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.54 ' C ' HD21 ' B' ' 129' ' ' ASN . 0.0 OUTLIER -73.98 20.0 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.618 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.7 tt -62.39 -44.19 98.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 86.5 m-20 -76.4 -40.36 51.06 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.76 -36.83 85.18 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.462 0.648 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.433 -0.792 . . . . 0.0 109.226 -179.797 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' B' ' 140' ' ' MET . 3.7 mpp? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.495 0.664 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.33 -37.22 84.79 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.231 -0.918 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.12 -38.72 83.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.195 -0.941 . . . . 0.0 108.815 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.497 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 20.0 mt -58.76 -30.98 67.93 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 147' ' ' GLY . 52.0 mt -67.83 -30.19 47.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 120.928 -1.108 . . . . 0.0 108.018 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.7 -38.94 70.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.99 -35.7 73.67 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' B' ' 144' ' ' ILE . . . -61.24 -31.45 77.06 Favored Glycine 0 N--CA 1.484 1.835 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.61 -37.92 68.78 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.726 -1.456 . . . . 0.0 107.325 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.35 -34.17 74.84 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' B' ' 150' ' ' LEU . 3.3 tm? -54.94 -43.93 73.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.85 -40.08 91.53 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.364 -0.835 . . . . 0.0 109.119 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.544 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 9.9 tm-20 -62.42 -39.52 93.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.688 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' B' ' 152' ' ' GLU . 81.1 t -64.81 -49.88 77.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.483 -0.76 . . . . 0.0 110.253 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -33.12 74.97 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.137 -0.977 . . . . 0.0 109.085 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.98 99.56 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.267 -0.895 . . . . 0.0 109.557 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.544 ' CE ' ' OE2' ' B' ' 152' ' ' GLU . 44.4 mtt -65.26 -37.6 87.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.044 -1.035 . . . . 0.0 109.628 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.49 -38.66 85.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.9 m-20 170.98 104.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.502 -0.748 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -58.3 -35.56 72.01 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 108.799 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 43.4 p -85.22 3.04 41.19 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.49 97.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -121.73 153.0 38.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.519 -0.989 . . . . 0.0 109.126 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.54 -34.51 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.087 -1.008 . . . . 0.0 109.171 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.56 -33.65 71.69 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.364 -0.835 . . . . 0.0 109.406 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.43 -24.33 57.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.638 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.6 mt -101.55 134.38 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.221 -0.924 . . . . 0.0 108.755 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.2 m -58.78 71.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.41 -0.806 . . . . 0.0 110.281 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.9 t0 -66.14 -38.56 88.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.06 76.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.051 . . . . 0.0 111.41 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.66 -44.13 64.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.94 -1.1 . . . . 0.0 109.73 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.411 HD21 ' HZ2' ' A' ' 163' ' ' LYS . 96.8 mt -62.1 -38.43 88.83 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.647 -0.658 . . . . 0.0 110.462 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.8 m-20 -61.12 -43.42 98.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.0 110.352 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.26 82.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.032 . . . . 0.0 109.791 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.5 mt-10 -65.35 -37.62 87.61 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.7 tp -66.42 -36.7 83.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.97 -1.081 . . . . 0.0 110.69 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.0 m-20 -61.98 -36.86 82.74 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.97 -1.081 . . . . 0.0 108.507 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.32 68.81 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.272 -0.893 . . . . 0.0 108.68 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.69 -38.01 83.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.454 -0.778 . . . . 0.0 110.35 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.63 78.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.127 -0.983 . . . . 0.0 109.275 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.32 -36.13 81.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.429 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -70.12 -47.59 61.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 0.0 110.445 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.569 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 24.9 m-20 -68.58 -37.56 79.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.3 -1.572 0 O-C-N 121.39 -0.818 . . . . 0.0 109.312 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.17 -38.0 81.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.4 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.65 93.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.0 109.437 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.15 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.202 -0.937 . . . . 0.0 109.687 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' A' ' 126' ' ' ASP . 9.2 ttm180 -59.84 -44.0 94.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.279 -0.888 . . . . 0.0 109.145 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -61.69 -39.54 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.8 -44.86 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.88 92.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.274 -0.891 . . . . 0.0 108.691 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m -62.02 -38.55 89.12 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.483 -0.761 . . . . 0.0 109.214 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.5 84.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.316 -0.865 . . . . 0.0 109.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -30.72 70.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 0.0 109.126 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.56 -41.31 94.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -63.99 -37.1 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.588 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -42.21 97.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.15 -0.968 . . . . 0.0 108.675 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -61.04 -30.43 70.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.47 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.502 -0.749 . . . . 0.0 109.726 -179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 4.93 63.19 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.475 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' H ' HG13 ' A' ' 18' ' ' VAL . 78.7 mt -95.93 69.35 2.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.977 -1.307 . . . . 0.0 109.197 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.65 -35.76 92.45 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.86 -43.24 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.295 . . . . 0.0 109.876 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.25 -48.92 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.008 -1.057 . . . . 0.0 108.645 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.11 -32.28 79.86 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.8 t80 -58.46 -49.41 77.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.4 m-85 -67.51 -36.24 80.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.173 -0.954 . . . . 0.0 110.244 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.0 -41.77 97.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.016 -1.053 . . . . 0.0 110.345 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -39.86 92.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 108.969 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.47 -38.56 91.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.794 . . . . 0.0 109.161 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 34.9 t80 -62.76 -42.56 99.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.682 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.72 88.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.08 -1.012 . . . . 0.0 110.408 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.1 -47.28 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.063 -1.023 . . . . 0.0 110.488 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.4 mt-10 -63.39 -31.17 72.25 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.068 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -60.41 -48.08 83.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.48 -43.12 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.204 -0.935 . . . . 0.0 109.448 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.75 -39.03 92.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.692 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -78.96 1.61 23.16 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.511 -0.743 . . . . 0.0 109.106 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.2 127.46 41.27 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.43 -36.24 82.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.235 -0.916 . . . . 0.0 109.654 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.84 125.92 42.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.286 -0.884 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -131.78 144.07 50.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.429 -0.794 . . . . 0.0 109.523 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -114.03 158.44 21.19 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -52.12 -34.75 45.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.938 -1.101 . . . . 0.0 108.365 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.74 -45.13 79.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.961 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.63 -41.98 59.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.825 -1.172 . . . . 0.0 109.594 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.5 m -61.66 -45.11 95.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 109.349 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.42 72.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.479 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.64 -40.09 95.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.62 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.93 94.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.232 -0.917 . . . . 0.0 109.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.13 -45.88 91.54 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.296 -0.877 . . . . 0.0 110.19 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.15 -38.23 79.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.9 . . . . 0.0 109.67 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.78 -36.94 85.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.41 -39.54 80.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.043 . . . . 0.0 109.22 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.27 -42.6 99.48 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.357 -0.839 . . . . 0.0 109.403 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 m -64.58 -44.5 90.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.341 -0.85 . . . . 0.0 109.741 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.46 -51.26 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.123 -0.986 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -38.82 90.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.29 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 109.225 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.6 t80 -65.51 -48.17 73.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 109.676 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 64' ' ' GLY . 28.4 tttt -60.69 -35.04 75.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.203 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.05 -34.66 78.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.075 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.3 -31.46 70.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.237 -0.914 . . . . 0.0 109.259 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.28 8.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.448 -0.782 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.93 -37.82 45.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.37 3.87 66.72 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -36.73 81.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.992 -1.299 . . . . 0.0 108.992 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.99 -29.85 0.89 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.64 -32.21 73.62 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.04 -39.98 96.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.425 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.99 -39.82 42.29 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.202 -0.936 . . . . 0.0 108.844 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.19 -38.5 83.46 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.279 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.644 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -134.49 -60.26 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.849 . . . . 0.0 110.159 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 69' ' ' ALA . 56.0 t0 59.64 -6.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.523 -0.736 . . . . 0.0 109.181 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.644 ' H ' ' C ' ' A' ' 72' ' ' SER . 19.1 ttpp -100.16 -81.21 0.47 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.191 -0.943 . . . . 0.0 108.885 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -68.06 -35.29 77.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.416 -0.802 . . . . 0.0 109.833 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.49 -35.4 79.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.925 -1.109 . . . . 0.0 109.479 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.485 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.4 t60 -60.24 -45.13 94.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.7 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.066 -1.021 . . . . 0.0 108.531 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.457 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 7.2 ttt -58.54 -36.42 73.86 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.49 -32.72 71.7 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.593 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 27.6 m -56.78 -37.65 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 56.4 mt -60.02 -40.24 88.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.473 -0.767 . . . . 0.0 109.495 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.4 -45.62 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.207 -0.933 . . . . 0.0 110.986 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.582 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.9 m-70 -74.0 -47.04 39.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 111.108 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -83.41 100.92 11.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.856 -1.153 . . . . 0.0 109.897 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -64.61 -35.51 81.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.279 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.47 -48.14 80.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.156 -0.965 . . . . 0.0 110.609 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.629 ' HZ1' ' CD1' ' B' ' 130' ' ' ILE . 57.1 tttm -65.56 -39.76 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.066 -1.021 . . . . 0.0 109.153 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.472 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -62.29 -37.75 86.75 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.453 -0.779 . . . . 0.0 108.948 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -46.53 68.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.399 -0.813 . . . . 0.0 109.451 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.68 -46.16 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.171 -0.956 . . . . 0.0 109.809 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -65.01 -42.84 94.06 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.095 -1.003 . . . . 0.0 109.483 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.36 -40.85 97.78 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.981 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.21 -42.77 96.47 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.359 -0.838 . . . . 0.0 108.866 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.474 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.1 m120 -63.17 -40.74 98.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.01 -49.86 66.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.914 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.9 m -62.72 -44.44 96.21 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.394 -0.816 . . . . 0.0 109.01 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.3 mmm -63.08 -38.27 90.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 109.628 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.5 m -62.06 -46.23 90.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.234 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.76 -44.86 80.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.18 -43.07 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.659 -0.651 . . . . 0.0 109.666 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -61.73 -38.57 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.5 -40.01 95.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 110.282 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.601 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 26.6 mmtt -64.94 -45.66 84.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.058 -1.026 . . . . 0.0 110.039 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.71 -36.09 79.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 108.534 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -60.02 -44.5 94.55 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.3 -36.87 85.41 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.2 tp -58.5 -33.51 69.9 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.654 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 64.2 tttt -59.36 -38.93 81.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.709 -0.619 . . . . 0.0 110.08 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.6 m-20 -168.42 -20.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.64 157.81 5.11 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.75 140.55 74.7 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.922 2.415 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 167' ' ' GLY . 3.0 m-90 -106.38 137.61 44.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -154.33 172.23 18.0 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.937 -1.102 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.47 -39.13 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.677 -0.639 . . . . 0.0 109.292 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.6 ttp -56.41 -42.36 77.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.742 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.27 -36.73 82.96 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.313 -0.867 . . . . 0.0 109.019 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.71 -48.11 80.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.094 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -67.61 -38.87 84.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.383 -0.823 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.601 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.3 t -61.98 -38.88 90.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.08 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.41 -39.71 91.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.975 -1.078 . . . . 0.0 109.032 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.463 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 53.9 m95 -61.77 -38.38 87.79 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.413 -0.804 . . . . 0.0 109.188 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -41.84 95.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.494 -0.754 . . . . 0.0 109.659 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 50.5 m -61.81 -39.98 93.63 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.739 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.54 -42.57 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.013 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.588 ' OD1' ' NH1' ' A' ' 7' ' ' ARG . 92.1 m-20 -62.35 -41.11 98.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.989 . . . . 0.0 110.359 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.32 -40.65 95.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 0.0 110.648 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -63.92 -42.82 97.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.866 -1.146 . . . . 0.0 110.311 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.79 -36.45 81.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.026 . . . . 0.0 109.907 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.41 ' SG ' ' CD1' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.0 -41.68 81.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.796 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.35 -42.34 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 110.468 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.23 -45.29 70.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.006 -1.059 . . . . 0.0 110.337 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.585 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -66.97 -43.44 83.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.404 -0.81 . . . . 0.0 111.208 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.41 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 mt -61.18 -31.79 71.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -139.74 56.33 1.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.723 -1.236 . . . . 0.0 111.281 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -62.17 -38.43 89.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.916 -1.115 . . . . 0.0 109.38 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.02 -28.69 68.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.482 -0.762 . . . . 0.0 111.192 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -91.87 1.02 57.45 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.5 mt -117.64 125.92 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 109.136 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 160.03 33.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -63.82 -38.9 92.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.5 m -65.62 -45.42 83.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.3 m -62.73 -38.62 91.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.359 -0.838 . . . . 0.0 109.272 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.6 m -61.4 -39.47 90.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.458 -0.776 . . . . 0.0 109.349 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.75 -38.97 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.578 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 m -61.85 -41.39 97.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.17 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.407 ' HA ' HH11 ' A' ' 150' ' ' ARG . 87.2 mt -66.7 -40.98 88.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.378 -0.826 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.84 -37.35 81.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.435 -0.791 . . . . 0.0 109.435 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -62.26 -41.56 98.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.961 . . . . 0.0 108.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.7 mtt85 -61.47 -41.84 97.87 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.403 -0.811 . . . . 0.0 108.974 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.48 -43.33 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.578 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.2 mmtt -61.25 -39.78 91.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.18 -43.66 82.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.367 -0.833 . . . . 0.0 108.849 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.81 -42.19 86.31 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.259 -0.9 . . . . 0.0 108.754 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -59.03 -43.46 91.62 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.2 -49.16 64.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 O-C-N 120.89 -1.131 . . . . 0.0 110.696 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -65.92 -35.55 80.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.987 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.463 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 32.5 tp -59.85 -36.02 75.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.817 -1.177 . . . . 0.0 108.414 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.457 ' N ' HD23 ' B' ' 175' ' ' LEU . 0.1 OUTLIER -70.29 -39.14 75.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 109.531 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.08 -39.34 85.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -36.32 76.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 108.557 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.03 70.26 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.457 -0.777 . . . . 0.0 109.409 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.429 ' HZ3' ' CD ' ' B' ' 174' ' ' GLU . 43.3 mttm -80.35 -16.03 55.49 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.231 -0.918 . . . . 0.0 109.385 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.99 81.79 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 108.404 -1.879 . . . . 0.0 108.404 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.61 -28.41 60.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.558 -0.966 . . . . 0.0 109.844 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.0 131.59 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.175 -0.953 . . . . 0.0 108.93 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.57 ' O ' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.093 0 CA-C-O 117.916 -1.491 . . . . 0.0 109.646 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.551 ' C ' ' H ' ' B' ' 130' ' ' ILE . 80.2 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.421 ' N ' HD21 ' B' ' 129' ' ' ASN . 2.8 m120 -75.83 20.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.629 ' CD1' ' HZ1' ' A' ' 88' ' ' LYS . 19.8 tt -64.81 -41.72 92.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.502 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 83.1 m-20 -74.87 -41.63 59.43 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.96 -39.46 87.25 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.481 0.658 . . . . 0.0 109.824 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.529 -0.732 . . . . 0.0 110.558 -179.049 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.418 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.951 0.881 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.6 -32.45 65.28 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.2 -35.72 72.05 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.13 -34.04 71.59 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.12 -30.55 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.26 -0.9 . . . . 0.0 108.937 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.06 -36.68 75.46 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.15 -35.99 74.49 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.05 82.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -55.83 -38.88 70.62 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.854 -1.38 . . . . 0.0 107.747 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -61.09 -33.95 74.16 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.26 -41.75 72.63 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.286 -0.884 . . . . 0.0 108.778 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.76 -42.1 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.1 tm-20 -63.26 -40.25 96.89 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 93.1 t -65.4 -49.41 78.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.404 -0.81 . . . . 0.0 110.158 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -33.23 75.2 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.012 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.76 97.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.355 -0.84 . . . . 0.0 109.715 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.654 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -63.36 -39.0 93.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.509 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.2 t-20 -60.74 -38.02 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 109.236 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 0.7 OUTLIER 167.42 106.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.474 -0.766 . . . . 0.0 109.105 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.04 -35.35 71.18 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.193 -0.942 . . . . 0.0 108.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.4 p -83.09 2.93 32.73 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.89 0.06 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -123.72 153.53 40.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.584 -0.951 . . . . 0.0 109.062 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 7.1 mp -54.65 -36.37 64.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.107 -0.996 . . . . 0.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.95 -32.92 71.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.903 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 -27.51 59.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 110.246 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 52.2 mt -98.36 135.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 108.896 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 167' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' B' ' 171' ' ' LEU . 23.1 m -57.04 74.85 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.1 t0 -63.85 -36.47 84.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.793 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.01 76.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.121 -0.987 . . . . 0.0 111.62 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . 0.421 ' CD ' ' HZ2' ' A' ' 163' ' ' LYS . 67.2 tt0 -71.54 -44.65 64.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.789 -1.195 . . . . 0.0 109.706 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.525 ' CD1' ' O ' ' B' ' 167' ' ' SER . 15.1 mt -61.26 -38.53 87.05 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.704 -0.623 . . . . 0.0 110.021 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.578 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 96.4 m-20 -65.45 -43.22 91.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 110.63 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.03 82.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.189 -0.944 . . . . 0.0 110.401 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.429 ' CD ' ' HZ3' ' A' ' 163' ' ' LYS . 97.7 mt-10 -66.03 -30.16 70.64 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 109.757 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -65.52 -42.86 91.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 110.674 -179.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -63.32 -42.96 99.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.948 -1.095 . . . . 0.0 109.126 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.78 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.101 -0.999 . . . . 0.0 108.834 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.88 -37.51 84.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.403 -0.811 . . . . 0.0 109.577 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.33 79.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.122 -0.986 . . . . 0.0 108.624 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.99 -31.83 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.528 -0.733 . . . . 0.0 109.249 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.58 -43.22 99.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.315 -0.866 . . . . 0.0 110.575 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -93.36 -27.99 16.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.019 -1.051 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.301 -1.521 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.71 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.29 -38.28 83.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.56 93.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.37 88.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.976 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.506 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 49.1 ttt-85 -59.79 -40.83 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.221 -0.925 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.66 -40.01 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.25 -47.49 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 109.137 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -41.37 80.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.874 . . . . 0.0 108.655 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 63.5 m -61.95 -38.88 90.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.86 -39.68 78.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.19 -30.89 70.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.042 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -60.63 -40.75 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.432 -0.793 . . . . 0.0 109.497 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.61 -38.42 91.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.367 -0.833 . . . . 0.0 109.5 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.93 -39.75 90.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.091 -1.006 . . . . 0.0 108.964 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.54 -32.67 71.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 0.0 109.262 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.75 -7.94 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.326 -0.859 . . . . 0.0 109.762 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.88 4.99 63.03 Favored Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.45 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' HG13 ' A' ' 18' ' ' VAL . 59.4 mt -94.1 57.62 2.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.102 -1.234 . . . . 0.0 109.342 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.15 -33.46 69.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mm -57.95 -43.44 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.246 . . . . 0.0 109.552 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.65 -47.9 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.011 -1.055 . . . . 0.0 108.866 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.56 80.71 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 86.3 t80 -58.68 -48.11 82.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.369 -1.077 . . . . 0.0 109.895 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 31.3 m-85 -67.3 -35.77 80.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.195 -0.941 . . . . 0.0 109.988 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.94 -40.6 96.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.055 -1.028 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.08 -40.17 92.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.989 -1.069 . . . . 0.0 108.875 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.5 -39.25 93.44 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 47.9 t80 -64.79 -43.84 91.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.543 -0.723 . . . . 0.0 110.344 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.88 85.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 110.286 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.33 -48.06 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.475 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.603 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -64.57 -31.81 73.19 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.801 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.45 -47.15 87.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.24 -0.912 . . . . 0.0 109.834 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.71 -46.23 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.66 -37.79 88.66 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.407 -0.808 . . . . 0.0 109.5 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -68.39 -13.52 62.34 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -86.71 124.24 32.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.542 -0.724 . . . . 0.0 109.44 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.85 -36.16 81.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.846 . . . . 0.0 109.801 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -89.56 125.72 35.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -137.66 142.15 41.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -110.16 158.22 18.57 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.55 55.63 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.863 -1.148 . . . . 0.0 108.389 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.26 -41.84 72.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.379 -0.825 . . . . 0.0 109.782 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.7 mtp -70.91 -40.89 71.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -62.53 -42.4 99.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.559 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.34 -33.88 76.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.26 -39.97 94.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.304 -0.872 . . . . 0.0 109.763 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.13 90.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 m -60.38 -45.65 92.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.412 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.18 -38.32 76.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.1 -38.37 90.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.154 -0.966 . . . . 0.0 109.938 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.76 -39.59 81.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.95 -43.06 99.82 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.28 -0.888 . . . . 0.0 109.279 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -66.88 -46.7 74.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.709 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.08 -48.73 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.401 -0.812 . . . . 0.0 109.334 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.12 -39.36 94.47 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 108.994 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.51 81.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.849 . . . . 0.0 108.952 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -65.08 -48.69 72.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.817 . . . . 0.0 109.514 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 43.1 tttt -64.2 -39.56 94.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.023 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -63.15 -33.66 75.95 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.79 -31.45 68.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.757 . . . . 0.0 109.038 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 74.2 mt -123.77 9.43 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.523 -0.736 . . . . 0.0 109.763 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.49 -37.8 61.39 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.68 2.96 64.73 Favored Glycine 0 N--CA 1.489 2.206 0 O-C-N 121.196 -1.179 . . . . 0.0 110.163 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.11 -36.94 81.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.005 -1.291 . . . . 0.0 109.026 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.92 -29.64 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.63 -30.44 71.55 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.18 83.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.461 -0.774 . . . . 0.0 109.366 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.73 -43.49 85.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.015 -1.053 . . . . 0.0 108.449 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -64.8 -38.69 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 t -158.76 98.72 1.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 60.7 t0 -98.09 7.2 46.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.58 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -97.7 -75.79 0.54 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.07 -39.69 86.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.371 -0.831 . . . . 0.0 111.325 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 tp -67.4 -35.71 79.83 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.798 -1.189 . . . . 0.0 109.998 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 52.3 t-80 -59.46 -45.2 92.29 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.97 . . . . 0.0 109.53 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.8 -42.15 94.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 108.636 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.454 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 ttt -58.32 -36.53 73.52 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.82 71.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.8 -37.52 71.29 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 65.6 mt -60.19 -40.64 90.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.488 -0.758 . . . . 0.0 109.477 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.1 mt -86.07 -45.4 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.206 -0.934 . . . . 0.0 111.284 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -74.17 -47.72 33.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 111.26 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -81.26 101.32 9.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 0.0 109.636 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.6 -37.06 86.25 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -47.69 84.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.948 . . . . 0.0 110.44 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.617 ' HZ1' ' CD1' ' B' ' 130' ' ' ILE . 59.1 tttm -66.04 -43.01 88.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 109.166 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.95 89.32 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HE2' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.13 -45.2 75.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.503 -0.748 . . . . 0.0 110.159 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.21 -41.75 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.042 . . . . 0.0 109.37 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -64.26 -42.95 96.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.255 -0.903 . . . . 0.0 109.737 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.62 -40.43 96.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 109.784 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.86 -40.14 91.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.493 ' O ' ' OG ' ' A' ' 99' ' ' SER . 1.2 t30 -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 109.686 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.93 -47.78 81.79 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.301 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.8 m -63.23 -46.12 88.44 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.1 mmm -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.191 -0.943 . . . . 0.0 109.634 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 40.2 m -61.18 -46.15 91.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.148 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.508 ' CD1' ' NZ ' ' A' ' 104' ' ' LYS . 59.8 tp -66.72 -44.69 80.92 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.458 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 72.4 t80 -61.36 -42.57 98.91 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.657 -0.652 . . . . 0.0 109.496 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.0 -38.39 85.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 0.0 109.642 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -42.05 99.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.277 -0.889 . . . . 0.0 109.902 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.508 ' NZ ' ' CD1' ' A' ' 100' ' ' LEU . 14.3 mmtm -63.53 -45.07 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.928 . . . . 0.0 109.587 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD1' ' CE2' ' A' ' 101' ' ' TYR . 61.4 mt -65.74 -36.99 85.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.25 -0.906 . . . . 0.0 108.844 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -61.32 -46.04 91.92 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.1 mm-40 -63.01 -36.68 84.35 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.444 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.8 tp -58.86 -32.93 69.9 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 15.5 tttt -58.91 -40.6 85.0 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.659 -0.651 . . . . 0.0 110.081 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.27 -8.46 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.986 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -64.58 157.42 44.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -62.9 139.39 73.77 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.782 2.321 . . . . 0.0 112.368 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -105.95 134.56 48.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.412 -0.805 . . . . 0.0 108.873 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -154.47 173.1 16.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.042 -1.037 . . . . 0.0 110.513 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.2 t -55.67 -38.26 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.717 -0.614 . . . . 0.0 109.486 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.17 -42.69 77.45 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.888 -1.132 . . . . 0.0 108.939 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.44 -36.47 82.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.279 -0.888 . . . . 0.0 109.002 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.594 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 83.9 tttt -57.49 -47.39 82.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.426 -0.796 . . . . 0.0 110.255 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -67.41 -39.2 85.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.375 -0.828 . . . . 0.0 110.002 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 84.1 p -65.44 -35.04 79.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.48 ' N ' ' HG ' ' A' ' 120' ' ' SER . 76.0 mt -63.32 -41.02 98.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.48 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 51.0 m95 -63.18 -36.54 83.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.889 . . . . 0.0 108.858 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -41.99 98.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.572 -0.705 . . . . 0.0 109.754 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -39.99 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.7 -42.38 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.979 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.46 -40.51 94.76 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.197 -0.939 . . . . 0.0 109.847 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.18 -39.28 94.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.274 -0.891 . . . . 0.0 110.417 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -64.6 -42.82 95.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.047 -1.033 . . . . 0.0 110.524 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -65.04 -31.68 73.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 109.995 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -69.1 -41.91 76.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.136 -0.977 . . . . 0.0 109.774 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.417 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 93.5 mt -59.47 -45.29 93.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.062 -1.024 . . . . 0.0 110.137 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.48 -44.12 68.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.096 -1.003 . . . . 0.0 110.205 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.603 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 12.1 t60 -67.58 -45.15 76.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.468 -0.77 . . . . 0.0 111.154 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.413 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 88.6 mt -61.43 -33.01 73.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.2 -0.937 . . . . 0.0 111.414 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -136.41 57.75 1.76 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -62.06 -39.44 92.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.994 -1.066 . . . . 0.0 109.463 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.68 -27.55 65.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.434 -0.791 . . . . 0.0 111.759 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.401 HD21 ' HE2' ' A' ' 90' ' ' LYS . 9.3 t30 -92.01 2.47 56.53 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.622 -1.299 . . . . 0.0 110.91 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.4 mt -116.88 129.65 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.185 -0.947 . . . . 0.0 109.17 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.6 159.73 33.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 0.0 109.679 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.16 -38.97 92.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.356 -0.84 . . . . 0.0 109.734 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.4 m -63.92 -45.77 87.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.451 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.6 t -63.19 -37.32 86.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.343 -0.848 . . . . 0.0 109.22 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 39.5 m -60.35 -41.42 93.61 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.71 -39.52 81.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.859 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.535 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 t -62.0 -43.22 99.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.412 ' HA ' HH11 ' A' ' 150' ' ' ARG . 84.8 mt -65.86 -41.36 91.74 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.413 -0.804 . . . . 0.0 109.948 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.09 -37.19 81.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.35 -41.06 98.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.179 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.8 mtt85 -61.14 -41.72 97.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 109.152 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.589 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.3 mmtt -61.06 -39.39 89.65 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.686 -0.634 . . . . 0.0 109.657 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.506 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.1 t80 -57.88 -43.67 86.22 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.51 -0.744 . . . . 0.0 109.111 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.46 -41.1 93.75 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 108.859 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . 0.433 ' NZ ' ' OD1' ' B' ' 176' ' ' ASP . 21.3 tttt -58.49 -43.91 89.19 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.388 -0.82 . . . . 0.0 109.68 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.52 -50.64 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.249 -0.907 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.506 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 2.1 m-85 -66.68 -35.76 80.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.378 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.48 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 34.8 tp -60.12 -38.3 82.6 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 108.532 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 m -66.65 -45.82 77.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.367 -0.833 . . . . 0.0 109.255 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -61.5 -38.67 88.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.617 -0.677 . . . . 0.0 109.609 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.64 -41.52 98.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.284 -0.885 . . . . 0.0 109.705 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.37 61.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.542 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -84.29 -3.37 58.19 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.787 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.16 12.36 84.69 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.11 -29.13 60.49 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.232 -1.158 . . . . 0.0 109.985 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.6 mm -106.42 133.2 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.162 -0.961 . . . . 0.0 109.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 CA-C-O 117.933 -1.481 . . . . 0.0 109.54 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.683 ' CG2' ' H ' ' B' ' 129' ' ' ASN . 16.4 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . 0.683 ' H ' ' CG2' ' B' ' 128' ' ' ILE . 19.2 m120 -75.36 18.99 0.18 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.489 -1.382 . . . . 0.0 108.073 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.617 ' CD1' ' HZ1' ' A' ' 88' ' ' LYS . 20.5 tt -69.69 -43.36 80.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.502 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 88.4 m-20 -69.11 -41.81 76.92 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . 0.403 ' HD2' HD21 ' B' ' 129' ' ' ASN . 77.0 mttt -65.84 -46.31 79.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.745 0.783 . . . . 0.0 109.415 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 122.004 0.907 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 68.8 mt -56.58 -33.07 65.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.223 -0.923 . . . . 0.0 109.204 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.65 -36.87 77.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.183 -0.948 . . . . 0.0 108.694 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 3.7 mm? -60.75 -31.14 70.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 0.0 108.65 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.45 HG23 HD13 ' B' ' 144' ' ' ILE . 36.9 mm -67.88 -31.98 54.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -57.7 -38.97 76.13 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.42 -35.8 74.66 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.29 80.22 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.78 -38.7 70.27 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.96 -34.0 72.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.403 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.1 tt -55.0 -43.03 73.23 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.54 -39.82 92.45 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.344 -0.848 . . . . 0.0 109.254 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.567 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.2 tm-20 -61.77 -38.55 88.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.495 -0.753 . . . . 0.0 109.683 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 33.2 t -65.46 -50.18 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.162 -0.961 . . . . 0.0 110.216 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . 0.402 HD12 ' HH ' ' A' ' 153' ' ' TYR . 1.5 mm? -66.26 -33.33 75.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 109.267 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.21 99.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.1 mtp -66.45 -38.64 87.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 109.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.1 t-20 -60.67 -38.25 84.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.8 m-20 170.5 107.31 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.831 . . . . 0.0 109.277 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.85 -35.23 70.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.9 p -85.21 2.84 42.06 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.63 97.99 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -126.36 154.3 43.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.943 . . . . 0.0 109.089 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.7 mp -55.0 -34.05 63.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 109.464 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.58 -32.97 70.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.374 -0.829 . . . . 0.0 109.73 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.48 -22.91 56.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.3 -0.875 . . . . 0.0 109.908 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.6 mt -102.68 134.29 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.227 -0.92 . . . . 0.0 108.989 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 13.6 t -59.67 70.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.415 -0.803 . . . . 0.0 110.168 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.1 t0 -64.04 -38.17 90.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.5 -48.91 77.49 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.981 -1.074 . . . . 0.0 111.333 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -42.71 68.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.883 -1.136 . . . . 0.0 109.841 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.39 -38.25 90.42 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.589 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -60.96 -42.47 98.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.67 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.68 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.053 -1.029 . . . . 0.0 110.199 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.542 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.77 -37.26 81.84 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.177 -0.952 . . . . 0.0 110.31 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.1 tp -68.1 -37.08 80.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.04 -1.037 . . . . 0.0 110.553 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 155' ' ' LYS . 95.2 m-20 -62.71 -39.68 94.79 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.003 -1.06 . . . . 0.0 109.123 -178.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.44 -42.95 64.45 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.104 -0.998 . . . . 0.0 108.344 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . 0.402 HD22 ' HZ1' ' A' ' 118' ' ' LYS . 15.2 tp -65.12 -38.38 90.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.556 -0.715 . . . . 0.0 109.651 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.68 71.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.216 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.28 -36.32 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 108.995 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.44 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.2 tm-20 -67.58 -46.37 72.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.385 -0.822 . . . . 0.0 109.95 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.594 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 47.5 m-20 -70.74 -36.22 73.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.419 -0.801 . . . . 0.0 109.761 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.268 -179.597 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.44 -36.69 78.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.244 -0.91 . . . . 0.0 109.443 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.43 92.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 109.517 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.08 90.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.928 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.539 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 45.2 ttt-85 -59.83 -41.02 90.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.116 -0.99 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.64 -40.09 83.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.07 -47.36 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 108.641 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.539 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 51.7 m -61.29 -38.33 86.41 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.02 81.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 108.717 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.54 -33.1 72.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.141 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -60.5 -38.7 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 108.977 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CE2' ' CG2' ' A' ' 23' ' ' ILE . 54.8 m-85 -62.88 -42.33 99.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.257 -0.902 . . . . 0.0 108.818 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.23 -41.57 97.11 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.75 -11.35 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.648 -0.658 . . . . 0.0 109.492 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.15 4.7 62.76 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.69 72.44 1.38 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.035 -1.273 . . . . 0.0 109.226 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.95 -32.87 85.62 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.45 -43.24 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.991 -1.3 . . . . 0.0 109.93 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.407 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 34.6 mm -66.57 -47.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 108.791 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.77 83.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 87.1 t80 -58.77 -48.9 79.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -1.049 . . . . 0.0 109.793 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 40.0 m-85 -67.34 -36.73 82.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.029 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.043 -1.035 . . . . 0.0 110.083 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.402 HE22 HG23 ' A' ' 55' ' ' THR . 96.9 mt-30 -61.03 -39.97 91.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.958 -1.089 . . . . 0.0 108.539 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.13 -39.02 92.45 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.427 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 68.1 t80 -65.07 -45.6 84.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.655 -0.653 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.82 88.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.111 -0.993 . . . . 0.0 109.977 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.09 -47.85 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.953 . . . . 0.0 110.201 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.582 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.54 -32.84 74.65 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.363 -0.835 . . . . 0.0 109.749 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.4 -46.35 90.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.279 -0.888 . . . . 0.0 109.651 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.54 -46.38 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.841 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.47 -38.72 92.01 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.364 -0.835 . . . . 0.0 109.523 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.7 t -68.63 -10.75 57.99 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -92.88 126.07 37.78 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.373 -0.829 . . . . 0.0 109.485 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.91 -35.21 79.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.791 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.63 125.63 33.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 110.045 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -142.09 143.95 33.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.637 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 158.89 20.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -52.85 -34.3 53.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.862 -1.148 . . . . 0.0 108.45 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -69.97 -44.06 70.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.283 -0.885 . . . . 0.0 109.799 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.1 mtp -69.01 -40.91 78.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.825 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.0 109.633 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.17 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -0.821 . . . . 0.0 109.952 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.27 -40.34 95.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.747 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.56 88.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.124 -0.985 . . . . 0.0 109.675 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.45 -45.78 92.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 110.504 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -38.12 74.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 0.0 109.735 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 109.931 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.22 -39.01 77.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.057 -1.027 . . . . 0.0 109.173 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.16 -43.37 98.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.237 -0.914 . . . . 0.0 109.38 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 HE22 ' A' ' 28' ' ' GLN . 46.7 m -68.42 -47.49 67.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.918 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -60.76 -48.46 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.281 -0.887 . . . . 0.0 109.774 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.92 -40.41 91.41 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.037 -1.039 . . . . 0.0 109.225 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.29 80.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 108.938 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -61.86 -47.17 86.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.749 . . . . 0.0 110.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.592 ' O ' ' N ' ' A' ' 64' ' ' GLY . 39.5 tttt -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -63.31 -33.16 74.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 108.684 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.2 -31.06 66.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 70.7 mt -123.76 7.83 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.584 -0.697 . . . . 0.0 109.774 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.66 -37.87 62.38 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.56 63.79 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -37.76 73.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.907 -1.349 . . . . 0.0 108.958 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -135.21 -29.73 1.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.17 -31.45 72.6 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.89 -35.69 77.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.388 -0.82 . . . . 0.0 109.24 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -58.4 -42.9 88.16 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.049 -1.032 . . . . 0.0 108.505 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -65.24 -39.4 92.66 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -158.79 95.49 1.3 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -93.81 6.85 47.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 0.0 109.689 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -95.87 -75.36 0.53 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.16 -0.962 . . . . 0.0 110.004 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -67.32 -40.26 85.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.806 . . . . 0.0 111.39 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.41 -34.98 76.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.486 -1.384 . . . . 0.0 109.779 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.571 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.02 -45.06 94.01 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.235 -0.916 . . . . 0.0 109.584 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.12 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.464 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.6 ttt -58.84 -36.48 74.63 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.692 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.42 -32.83 71.73 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.692 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 29.0 m -57.15 -37.52 72.17 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 57.4 mt -60.08 -40.8 90.81 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.42 -0.8 . . . . 0.0 109.443 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.5 mt -85.06 -45.78 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.135 -0.978 . . . . 0.0 111.077 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.574 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 93.5 m-70 -72.82 -46.76 51.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.34 -0.85 . . . . 0.0 111.138 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -83.15 99.12 9.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.903 -1.123 . . . . 0.0 109.613 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.7 mp0 -64.53 -35.98 82.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 110.21 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.81 -47.68 84.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.0 110.158 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' HZ2' ' CD1' ' B' ' 130' ' ' ILE . 61.2 tttm -66.32 -41.74 89.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.465 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.443 -0.786 . . . . 0.0 108.894 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -44.72 70.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.49 -0.756 . . . . 0.0 109.684 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.05 -40.07 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.161 -0.962 . . . . 0.0 109.694 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -65.72 -43.86 87.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.638 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -62.15 -41.15 98.0 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.987 . . . . 0.0 108.509 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.4 tp -65.56 -42.2 92.11 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.466 HD22 ' CG1' ' B' ' 144' ' ' ILE . 20.9 m120 -62.88 -43.24 99.33 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.37 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.16 -48.88 69.31 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.296 -0.878 . . . . 0.0 108.888 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.7 m -61.65 -44.41 97.02 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.002 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.0 -38.1 89.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.358 -0.839 . . . . 0.0 109.443 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -62.77 -47.08 85.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 109.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 45.4 tp -67.36 -45.06 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.16 -0.963 . . . . 0.0 108.555 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.58 -39.55 94.67 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.594 -0.691 . . . . 0.0 109.468 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -62.39 -41.3 98.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.547 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.99 -39.45 93.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 110.027 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -62.7 -44.9 95.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.101 -1.0 . . . . 0.0 110.093 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.99 -35.79 78.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.938 -1.101 . . . . 0.0 108.545 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.582 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.0 tttp -59.59 -42.11 91.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 4.4 tp -57.93 -33.86 69.26 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 57.7 tttt -59.35 -45.03 92.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.758 -0.588 . . . . 0.0 110.223 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 66.0 m-20 -161.98 -1.42 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.169 -0.957 . . . . 0.0 111.132 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -74.04 158.07 51.76 Favored Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.688 -1.258 . . . . 0.0 110.125 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.4 140.33 69.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.492 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.5 m-90 -106.1 135.46 47.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.825 . . . . 0.0 109.299 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -157.25 172.31 18.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.089 -1.007 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.62 -38.2 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.679 -0.638 . . . . 0.0 109.433 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -54.78 -42.62 71.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.971 -1.081 . . . . 0.0 108.903 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.31 -36.81 83.3 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.273 -0.892 . . . . 0.0 109.042 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.604 ' HZ1' ' CG ' ' B' ' 182' ' ' ASP . 40.0 tttt -59.09 -47.31 85.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.49 -0.756 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -65.45 -39.51 92.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.447 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.5 p -66.75 -35.28 79.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 109.877 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.31 -41.21 96.94 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.2 -0.938 . . . . 0.0 109.396 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.414 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 37.7 m95 -61.94 -36.89 82.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -0.912 . . . . 0.0 108.655 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.461 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.49 -40.65 89.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.538 -0.726 . . . . 0.0 109.312 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 79.8 m -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.08 -42.12 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 109.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.3 -40.43 96.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.329 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.31 -43.11 92.11 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 0.0 110.379 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.424 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 86.3 p -65.24 -31.15 72.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.03 -1.044 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.424 ' N ' ' HG ' ' A' ' 129' ' ' SER . 0.0 OUTLIER -69.1 -41.97 76.76 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.757 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 131' ' ' ILE . 99.7 mt -59.41 -43.25 89.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 110.28 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.02 -44.79 75.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 110.225 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.582 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -68.0 -45.85 72.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.454 -0.779 . . . . 0.0 111.265 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.415 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 94.5 mt -61.4 -32.09 72.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.315 -0.866 . . . . 0.0 111.758 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -136.77 57.22 1.77 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.842 -1.161 . . . . 0.0 111.1 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.96 -38.93 93.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.972 -1.08 . . . . 0.0 109.295 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.57 -29.25 68.56 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.553 -0.717 . . . . 0.0 111.434 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -91.78 0.67 57.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.678 -1.264 . . . . 0.0 110.502 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 139' ' ' ILE . 78.3 mt -118.66 125.92 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.305 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.5 m -70.97 160.24 33.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.364 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.34 -38.87 92.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.209 -0.932 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.7 m -65.79 -44.7 84.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 0.0 109.385 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.38 -38.62 90.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.6 m -61.41 -39.03 89.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.316 -0.865 . . . . 0.0 109.298 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -57.48 -40.02 77.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.7 m -61.39 -41.53 97.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.401 ' HA ' HH11 ' A' ' 150' ' ' ARG . 82.2 mt -66.47 -41.17 89.42 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.365 -0.835 . . . . 0.0 109.453 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.04 -36.05 78.53 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.423 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -61.38 -41.34 96.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.246 -0.909 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.56 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 67.1 mtt85 -61.53 -42.15 98.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.008 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.11 -39.87 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 3.2 mmtt -60.76 -42.48 97.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.568 -0.708 . . . . 0.0 109.559 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.609 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.5 t80 -57.27 -43.41 83.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.56 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -64.86 -43.4 93.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -58.6 -43.96 89.71 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.364 -0.835 . . . . 0.0 109.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.476 ' O ' ' OG ' ' A' ' 159' ' ' SER . 92.7 mt -69.73 -50.41 49.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.124 -0.985 . . . . 0.0 110.768 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.609 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 2.6 m-85 -66.82 -35.87 81.06 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 110.575 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.414 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -60.28 -36.36 77.67 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.054 -1.028 . . . . 0.0 108.253 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 85.3 p -69.43 -43.03 74.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.464 -0.772 . . . . 0.0 109.905 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -63.01 -37.75 88.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.353 -0.842 . . . . 0.0 109.581 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.49 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.28 70.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.422 -0.798 . . . . 0.0 110.73 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.405 ' HZ3' HD23 ' B' ' 171' ' ' LEU . 49.0 mtmt -86.3 -2.03 58.03 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.884 -1.135 . . . . 0.0 110.111 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.15 79.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -74.4 -28.52 61.12 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.202 -1.175 . . . . 0.0 109.229 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 166' ' ' ILE . 22.7 mm -107.83 133.45 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.349 -0.844 . . . . 0.0 109.08 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . 0.492 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.179 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.577 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.584 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.5 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -75.36 20.21 0.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.584 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.4 tt -65.26 -41.71 92.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.498 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 89.0 m-20 -70.49 -42.8 70.89 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.545 -0.862 . . . . 0.0 108.904 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.6 -42.75 77.73 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.536 0.684 . . . . 0.0 109.796 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 110.01 -179.166 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.2 mtp . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.839 0.828 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.52 -33.72 75.47 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.125 -0.984 . . . . 0.0 108.586 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.7 -36.38 76.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.24 -34.6 68.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . 0.466 ' CG1' HD22 ' A' ' 95' ' ' ASN . 55.4 mt -67.62 -31.11 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.492 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.21 -37.59 69.86 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.22 -36.02 74.68 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.66 85.05 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.85 -39.12 71.0 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.976 -1.308 . . . . 0.0 107.643 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.582 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.0 tt0 -59.17 -33.4 70.88 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' B' ' 150' ' ' LEU . 1.6 tm? -54.55 -45.8 73.53 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.75 -40.65 93.21 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 108.998 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.553 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.1 tm-20 -63.0 -40.18 96.98 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.384 -0.822 . . . . 0.0 109.748 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.68 -50.2 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 110.415 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.53 -33.19 75.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.14 -0.975 . . . . 0.0 109.284 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.43 96.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.555 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -64.19 -36.96 85.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.028 -1.045 . . . . 0.0 109.717 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.7 t-20 -60.37 -39.45 87.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.264 -0.897 . . . . 0.0 109.683 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.1 m120 163.38 108.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.396 -0.815 . . . . 0.0 109.134 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -58.28 -35.75 72.25 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.117 -0.99 . . . . 0.0 109.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.9 p -82.21 0.61 40.35 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -75.95 101.92 1.5 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' B' ' 163' ' ' LEU . 1.2 tm-20 -124.02 173.21 8.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.478 -1.013 . . . . 0.0 109.543 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . 0.586 ' H ' ' CD ' ' B' ' 162' ' ' GLU . 6.8 mp -60.11 -36.2 76.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.183 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.98 -33.58 72.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.814 . . . . 0.0 109.579 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.66 -20.6 58.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' B' ' 168' ' ' ASP . 34.1 mt -102.83 134.14 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.4 p -58.5 70.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.406 -0.809 . . . . 0.0 110.488 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.0 t0 -64.1 -37.81 88.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.147 -0.971 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.14 -49.25 75.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.034 . . . . 0.0 111.346 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.54 -43.58 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.901 -1.124 . . . . 0.0 109.579 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . 0.405 HD23 ' HZ3' ' A' ' 163' ' ' LYS . 94.7 mt -62.1 -38.42 88.81 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.694 -0.628 . . . . 0.0 110.575 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 92.0 m-20 -61.68 -42.91 99.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.09 -1.006 . . . . 0.0 110.345 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.062 -1.024 . . . . 0.0 109.723 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.4 mt-10 -65.39 -38.39 89.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 110.419 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 18.5 tp -67.13 -34.87 78.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.904 -1.123 . . . . 0.0 110.51 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 28.3 m-20 -61.87 -36.85 82.48 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 108.64 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.47 68.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 108.565 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.16 -36.7 85.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.509 -0.745 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.36 89.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.081 -1.012 . . . . 0.0 110.004 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.89 -42.5 99.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 0.0 110.24 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' B' ' 182' ' ' ASP . 2.9 pp20? -85.83 -33.42 21.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.183 -0.948 . . . . 0.0 110.036 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.604 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 47.0 t0 -64.16 -33.73 76.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.0 108.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.301 -1.529 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -60.7 -38.58 85.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.274 -0.892 . . . . 0.0 109.209 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.69 93.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.456 -0.777 . . . . 0.0 109.534 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.54 89.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.03 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -59.87 -40.59 89.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.53 -39.91 82.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.11 -46.33 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 108.924 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.63 79.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 108.671 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -61.2 -38.77 87.75 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 108.736 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -60.44 -31.34 70.32 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.372 -0.83 . . . . 0.0 108.991 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -60.76 -39.96 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -63.45 -39.75 95.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.0 109.646 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.104 -0.998 . . . . 0.0 108.918 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -60.75 -33.63 73.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.424 -0.798 . . . . 0.0 109.162 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -87.08 -6.42 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.839 . . . . 0.0 109.922 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 5.4 62.86 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.999 -1.096 . . . . 0.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' H ' HG12 ' A' ' 18' ' ' VAL . 47.1 mt -94.25 57.72 2.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.321 . . . . 0.0 109.433 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.46 -32.21 68.12 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.82 -43.22 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.248 . . . . 0.0 109.507 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.37 -46.71 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.999 -1.063 . . . . 0.0 108.86 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.58 79.37 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 76.7 t80 -58.78 -50.16 74.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -1.087 . . . . 0.0 109.77 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 48.8 m-85 -67.67 -36.16 80.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.251 -0.906 . . . . 0.0 110.198 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.06 -42.3 99.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.038 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -61.03 -39.45 89.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 108.384 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -38.7 91.95 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 58.0 t80 -63.36 -44.37 95.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.55 84.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.176 -0.953 . . . . 0.0 110.191 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.34 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 110.179 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.591 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -65.52 -32.14 73.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.52 -46.05 91.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 109.735 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.76 -42.32 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.4 -36.86 85.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.421 -0.8 . . . . 0.0 109.741 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -68.16 -11.05 58.52 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.98 123.63 35.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.78 -36.43 80.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -89.79 125.89 35.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.985 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -138.7 122.85 18.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -80.79 163.92 23.11 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -55.05 -36.46 65.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.898 -1.126 . . . . 0.0 108.631 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.98 -43.88 74.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 0.0 109.699 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -66.36 -40.06 89.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.572 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 m -63.39 -44.04 95.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.333 -0.854 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.85 -34.29 75.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.519 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.38 -40.91 98.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.631 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.8 91.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.95 -45.87 92.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 110.437 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.89 -38.12 78.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.875 . . . . 0.0 109.828 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.79 -37.72 88.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.47 -39.23 79.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.002 -1.061 . . . . 0.0 109.322 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.43 -42.5 99.5 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.365 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -65.39 -44.67 86.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -51.49 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 0.0 109.229 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -37.35 83.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.55 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.25 85.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.0 t80 -66.09 -48.4 71.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.832 . . . . 0.0 109.577 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 64' ' ' GLY . 36.9 tttt -62.57 -35.35 79.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.539 -0.725 . . . . 0.0 109.318 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.96 -34.75 78.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.21 -31.81 70.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.364 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 5.0 mt -122.87 11.89 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.62 -0.675 . . . . 0.0 109.808 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.16 -37.26 46.19 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.01 66.31 Favored Glycine 0 N--CA 1.488 2.131 0 O-C-N 121.166 -1.196 . . . . 0.0 110.197 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.47 -38.16 76.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.763 -1.433 . . . . 0.0 108.945 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -28.68 1.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.53 -31.93 73.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -61.54 -35.74 78.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.349 -0.844 . . . . 0.0 109.259 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.13 -37.65 77.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 108.974 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.78 -40.81 89.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.574 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.77 -61.11 1.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.775 . . . . 0.0 108.979 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 67.0 -18.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.576 -0.702 . . . . 0.0 109.87 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 72' ' ' SER . 52.2 mttm -93.17 -80.74 0.37 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.334 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.8 p -67.89 -35.85 79.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 110.217 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.59 -36.27 83.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.863 -1.148 . . . . 0.0 109.53 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.441 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.4 t60 -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.142 -0.974 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.66 -40.85 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 108.599 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.438 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.0 ttt -58.3 -36.5 73.44 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.35 -32.43 71.26 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.338 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.592 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 23.2 m -56.97 -37.31 71.41 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 69.5 mt -60.54 -40.39 91.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.532 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.1 mt -86.22 -45.32 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.157 -0.964 . . . . 0.0 111.527 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.569 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.8 m-70 -76.11 -47.83 22.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 111.34 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -81.94 102.41 10.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.808 -1.183 . . . . 0.0 109.715 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -63.66 -35.16 79.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.407 -0.808 . . . . 0.0 109.861 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.32 -47.11 87.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.262 -0.899 . . . . 0.0 109.962 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -64.29 -43.26 95.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.142 -0.974 . . . . 0.0 109.046 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -64.2 -37.92 89.21 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -45.18 73.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.748 . . . . 0.0 109.61 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.34 -44.17 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.161 -0.962 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -63.81 -45.04 91.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.258 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 108.902 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.33 -41.19 98.35 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' B' ' 140' ' ' MET . 92.1 m-20 -62.9 -41.02 99.28 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.429 -0.794 . . . . 0.0 109.754 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.31 -48.94 71.34 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.911 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.2 m -63.69 -46.02 87.4 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.421 -0.8 . . . . 0.0 109.138 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 92.3 mmm -63.21 -40.07 96.44 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.185 -0.947 . . . . 0.0 109.551 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -63.69 -46.92 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.01 -42.56 80.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.194 -0.941 . . . . 0.0 108.627 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.78 -41.21 95.08 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.068 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.95 -40.55 95.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.876 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.91 -40.08 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.714 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -63.43 -45.45 90.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.982 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.7 mt -69.01 -36.15 77.47 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 33.8 tttp -60.26 -45.95 91.5 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.09 -36.73 84.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.466 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 10.0 tp -58.88 -32.73 69.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 69.4 tttt -59.13 -39.58 82.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.678 -0.639 . . . . 0.0 110.126 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.23 -22.81 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.264 -0.897 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.48 156.8 3.17 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.56 141.26 85.57 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.838 2.359 . . . . 0.0 112.579 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -106.08 137.03 44.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -153.89 172.95 16.6 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.971 -1.081 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.35 -39.92 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.329 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -57.28 -42.4 81.59 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.013 -1.054 . . . . 0.0 108.64 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.3 -36.89 83.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.457 -0.777 . . . . 0.0 108.925 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.8 tttt -56.69 -47.34 80.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.485 -0.759 . . . . 0.0 109.857 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -66.43 -36.22 82.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.518 -0.739 . . . . 0.0 109.563 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -60.95 -40.54 93.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 110.299 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.73 -39.44 94.07 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.022 -1.049 . . . . 0.0 108.779 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.465 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 53.2 m95 -63.41 -39.18 93.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -42.37 96.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.751 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.31 -40.16 93.15 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.271 -0.893 . . . . 0.0 109.701 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.0 110.081 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.23 -42.38 96.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.044 -1.035 . . . . 0.0 110.064 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.58 -39.61 94.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 110.179 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -64.32 -43.95 93.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.977 . . . . 0.0 110.179 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -62.03 -36.99 83.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 87.5 m -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.97 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 131' ' ' ILE . 98.8 mt -59.03 -43.82 89.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.104 -0.997 . . . . 0.0 110.253 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.47 -45.32 69.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.591 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -67.12 -45.68 76.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.827 . . . . 0.0 110.928 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.18 -30.54 71.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 111.637 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -137.57 55.28 1.8 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 111.482 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -62.49 -37.85 87.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.123 . . . . 0.0 109.341 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.01 -29.66 68.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.553 -0.717 . . . . 0.0 111.339 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -91.87 0.83 57.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.744 -1.223 . . . . 0.0 110.426 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 139' ' ' ILE . 80.0 mt -118.06 126.32 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.332 -0.855 . . . . 0.0 109.276 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.86 160.0 33.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.0 109.436 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -65.01 -38.3 90.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.182 -0.949 . . . . 0.0 109.398 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.0 m -64.79 -45.4 86.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.9 p -65.96 -34.15 77.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.234 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 47.6 m -63.6 -40.69 97.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.82 . . . . 0.0 109.322 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.17 -39.11 78.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.87 -41.92 98.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.08 -41.24 86.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.396 -0.815 . . . . 0.0 109.73 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.03 -37.0 81.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 109.337 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.17 -40.39 95.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.852 . . . . 0.0 108.852 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.6 mtt180 -61.39 -42.09 98.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 108.917 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.4 mt -64.98 -43.04 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.586 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.7 mmtt -61.13 -38.72 87.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.658 -0.651 . . . . 0.0 109.579 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.91 -43.8 86.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.96 -40.28 91.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 108.677 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.0 -43.71 91.54 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 0.0 109.485 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.32 -49.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.466 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.278 -0.889 . . . . 0.0 110.841 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.465 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.425 ' N ' HD21 ' B' ' 175' ' ' LEU . 37.3 t -65.07 -45.44 85.29 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.627 -0.67 . . . . 0.0 110.116 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -60.43 -38.58 84.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.447 -0.783 . . . . 0.0 110.105 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.03 -35.67 75.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 0.0 108.968 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -29.4 69.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.341 -0.85 . . . . 0.0 109.886 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -78.67 -16.02 57.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.129 -0.982 . . . . 0.0 109.289 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.33 78.15 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.64 -28.84 61.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.535 -0.979 . . . . 0.0 109.816 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.2 mm -102.11 130.8 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 109.015 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.608 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ILE . . . . . 0.517 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -78.0 20.24 0.38 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.7 tt -65.07 -41.86 93.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' ASP . . . . . 0.49 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 88.6 m-20 -71.69 -41.76 68.26 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -66.8 -46.75 74.23 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.64 0.733 . . . . 0.0 109.38 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.719 0.771 . . . . 0.0 109.004 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' MET . . . . . 0.58 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.9 mtp . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 122.075 0.941 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.68 -32.59 69.26 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 108.507 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.92 -34.44 71.72 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.332 -0.855 . . . . 0.0 108.814 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 143' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 2.6 mm? -60.34 -34.38 73.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 108.578 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.55 -32.28 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.025 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.5 -38.92 78.65 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.7 -35.81 75.27 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.48 84.98 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.81 -39.68 71.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.27 . . . . 0.0 107.8 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.4 tt0 -61.65 -33.39 73.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.93 -43.35 73.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.58 -40.72 97.79 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.392 -0.817 . . . . 0.0 108.912 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 152' ' ' GLU . . . . . 0.554 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.0 tm-20 -62.68 -39.16 93.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.489 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.17 -50.52 76.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.354 -0.841 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -33.27 75.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.154 -0.966 . . . . 0.0 109.081 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.3 93.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.8 mtp -63.92 -38.97 93.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.074 -1.016 . . . . 0.0 109.478 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 157' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.5 t-20 -60.75 -38.68 85.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.396 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 158' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 5.0 m-20 166.48 107.17 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.46 -0.775 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.07 -35.01 70.75 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.098 -1.002 . . . . 0.0 108.787 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 51.7 p -83.5 0.71 45.24 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.59 98.32 0.07 OUTLIER Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -119.97 154.66 34.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.975 . . . . 0.0 109.177 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.61 -32.89 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.288 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.28 -33.1 70.65 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.277 -0.889 . . . . 0.0 109.434 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.31 -24.5 57.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 109.553 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 38.1 mt -101.21 132.68 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.15 -0.969 . . . . 0.0 108.565 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -58.5 70.25 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.412 -0.805 . . . . 0.0 110.357 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.6 t0 -60.87 -36.9 80.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.058 -1.026 . . . . 0.0 111.017 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.63 72.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.0 111.893 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -43.57 65.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.674 -1.266 . . . . 0.0 109.785 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.85 -38.22 89.95 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 110.146 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 172' ' ' ASP . . . . . 0.586 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 94.1 m-20 -61.01 -41.17 96.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 110.593 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.92 92.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.092 -1.005 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.42 -35.9 82.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.155 -0.966 . . . . 0.0 109.972 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -62.89 -42.56 99.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 110.574 -179.263 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.58 -40.25 96.47 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.992 -1.067 . . . . 0.0 109.729 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.61 71.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.06 -1.025 . . . . 0.0 108.986 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.3 -32.22 73.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.879 . . . . 0.0 109.409 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.32 83.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.026 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.34 -39.3 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.837 . . . . 0.0 109.067 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 181' ' ' GLU . . . . . 0.481 ' OE1' ' OD1' ' B' ' 182' ' ' ASP . 3.8 tm-20 -72.95 -42.67 63.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 182' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 67.9 m-20 -70.39 -34.54 72.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.56 -0.713 . . . . 0.0 110.183 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.421 -179.091 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.72 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 109.415 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -60.99 -32.1 71.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.182 -0.949 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -37.77 82.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.896 . . . . 0.0 109.341 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.58 -40.26 96.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.855 . . . . 0.0 109.256 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.278 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -59.96 -44.34 94.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.344 -0.848 . . . . 0.0 109.19 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.58 -42.89 95.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.46 -46.11 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.0 109.48 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.92 85.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 108.964 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -61.84 -39.47 91.94 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.44 -0.787 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 109.043 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.42 -33.04 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.409 -0.807 . . . . 0.0 109.475 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.0 -42.72 98.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -64.12 -37.43 87.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.273 -0.892 . . . . 0.0 109.719 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.0 -42.32 98.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.06 -1.025 . . . . 0.0 108.874 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.25 -30.83 70.69 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.25 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.521 -0.737 . . . . 0.0 109.77 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.07 4.88 62.79 Favored Glycine 0 N--CA 1.493 2.452 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.441 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' H ' HG13 ' A' ' 18' ' ' VAL . 81.6 mt -96.9 62.33 1.87 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.263 . . . . 0.0 109.135 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.95 -32.87 76.5 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.48 -43.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.995 -1.297 . . . . 0.0 109.634 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mm -67.02 -49.12 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.03 -1.044 . . . . 0.0 108.824 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.35 79.94 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 80.2 t80 -58.59 -48.63 80.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.417 -1.049 . . . . 0.0 109.959 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.1 m-85 -67.57 -36.56 81.16 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.146 -0.971 . . . . 0.0 110.286 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.46 -41.61 98.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 0.0 109.951 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.33 -39.74 94.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.123 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.24 -39.54 92.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.403 -0.81 . . . . 0.0 109.45 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -63.38 -45.66 90.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.398 -0.814 . . . . 0.0 110.042 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.53 81.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.045 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.86 -51.15 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 110.002 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.601 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -67.01 -30.41 70.5 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.44 -44.39 95.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.239 0.543 . . . . 0.0 109.555 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.07 -44.75 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 109.329 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -37.45 87.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.476 -0.765 . . . . 0.0 109.795 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -77.0 1.3 18.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.468 -0.77 . . . . 0.0 109.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -93.5 126.27 38.56 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.176 -0.953 . . . . 0.0 109.246 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.0 -36.29 81.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.0 109.862 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.87 125.67 38.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 110.077 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -137.54 142.57 41.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.372 -0.83 . . . . 0.0 109.568 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.21 162.64 16.29 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -53.58 -35.4 60.78 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.913 -1.117 . . . . 0.0 108.716 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.54 -43.04 73.78 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.304 -0.873 . . . . 0.0 109.931 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.405 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.1 mtp -70.44 -41.33 72.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.823 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -62.87 -44.28 96.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 0.0 109.453 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.95 73.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.349 -0.845 . . . . 0.0 109.694 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.21 -39.34 92.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.717 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.29 95.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.0 109.466 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.8 -45.99 92.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 110.352 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.22 -37.62 77.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.621 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.26 -37.87 88.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.58 -39.66 80.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.966 -1.084 . . . . 0.0 109.365 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.01 -42.21 98.91 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.424 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.8 m -65.15 -45.96 82.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.331 -0.855 . . . . 0.0 109.917 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.31 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.308 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.31 -39.16 93.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.59 88.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.236 -0.915 . . . . 0.0 109.007 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.5 t80 -67.61 -48.84 65.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.419 -0.801 . . . . 0.0 109.765 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 50.8 tttt -63.51 -39.81 95.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.0 109.176 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -63.01 -33.81 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -31.28 68.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.528 -0.733 . . . . 0.0 109.241 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 77.3 mt -124.16 9.53 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.542 -0.723 . . . . 0.0 109.892 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.17 -37.62 64.73 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.42 1.38 64.36 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.17 -37.86 75.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.298 . . . . 0.0 109.056 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -134.86 -29.33 1.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.17 -30.78 71.86 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.65 81.18 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.02 -43.65 82.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 108.361 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.98 -39.43 93.46 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -161.41 96.91 1.08 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.19 6.79 48.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 109.604 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -94.59 -75.05 0.52 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.208 -0.932 . . . . 0.0 109.899 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.6 p -66.99 -38.48 86.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.397 -0.814 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.2 tp -67.58 -35.39 78.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.616 -1.302 . . . . 0.0 109.638 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.3 t60 -60.14 -45.12 94.12 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.06 -42.7 96.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 108.306 179.354 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.464 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 8.4 ttt -58.87 -36.71 75.05 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.58 -32.92 71.99 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -56.67 -37.74 71.24 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.502 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 62.2 mt -60.41 -40.75 92.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.541 -0.724 . . . . 0.0 109.67 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.0 mt -85.97 -45.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 111.294 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.4 m-70 -72.84 -46.52 52.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 111.097 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -81.29 100.88 9.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.868 -1.145 . . . . 0.0 109.416 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.42 -37.07 86.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 0.0 110.277 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' HD22 ' A' ' 138' ' ' ASN . 84.5 tt0 -62.81 -47.46 83.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 110.343 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -65.78 -41.88 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.381 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.442 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.28 -37.81 88.7 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.388 -0.82 . . . . 0.0 108.91 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -44.86 68.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.469 -0.769 . . . . 0.0 109.597 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.62 -45.9 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 0.0 109.884 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -64.17 -43.61 94.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.095 -1.003 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.35 -41.63 98.75 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.229 -0.919 . . . . 0.0 108.674 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.2 tp -65.68 -42.28 91.45 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.488 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.2 m120 -62.61 -41.63 99.1 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.422 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -65.67 -49.23 69.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.971 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 54.2 m -63.3 -44.96 93.54 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.384 -0.823 . . . . 0.0 109.141 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.7 mmm -63.74 -38.14 90.01 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.305 -0.872 . . . . 0.0 109.628 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.0 m -62.18 -46.26 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.93 -46.73 73.87 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -60.44 -42.5 96.25 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.685 -0.634 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 55.1 t-20 -60.13 -39.3 85.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.47 -40.02 96.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 110.094 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -62.76 -45.09 94.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.093 -1.005 . . . . 0.0 109.888 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.29 -36.58 81.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.019 -1.05 . . . . 0.0 108.849 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.445 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.2 tttp -60.89 -44.99 96.35 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.6 mt-30 -62.3 -36.65 82.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.446 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -57.75 -32.52 67.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.66 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -59.22 -41.89 89.7 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.741 -0.599 . . . . 0.0 109.921 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.2 m-20 -167.46 -5.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.917 . . . . 0.0 111.048 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -65.37 156.67 48.11 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.95 137.48 62.7 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.782 2.321 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -106.03 135.1 48.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 109.087 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.02 172.68 17.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.02 -1.05 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.56 -38.8 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.71 -0.619 . . . . 0.0 109.46 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.63 -42.49 75.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 108.792 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.45 -35.96 80.92 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.856 . . . . 0.0 108.975 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.48 -47.22 82.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.46 -0.775 . . . . 0.0 110.042 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -67.04 -39.44 86.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.4 m -63.04 -39.51 94.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.0 109.989 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.84 -41.18 97.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.177 -0.952 . . . . 0.0 109.474 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.479 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 46.0 m95 -62.26 -37.05 83.95 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.316 -0.865 . . . . 0.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -41.97 92.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.404 -0.81 . . . . 0.0 109.636 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -40.76 96.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.666 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.92 -42.4 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.872 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.18 -40.49 96.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.082 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.09 -40.63 94.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.328 -0.858 . . . . 0.0 110.478 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.3 -44.23 92.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.954 -1.091 . . . . 0.0 110.178 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t -61.83 -36.55 81.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 0.0 109.683 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.58 -43.06 85.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.892 . . . . 0.0 109.787 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.579 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 110.202 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.6 mt -68.46 -45.13 73.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.056 -1.027 . . . . 0.0 110.192 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.601 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 16.9 t60 -67.32 -42.94 82.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.276 -0.89 . . . . 0.0 111.035 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.12 -31.9 71.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 111.594 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -140.47 57.13 1.59 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.759 -1.213 . . . . 0.0 111.296 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.69 -37.56 84.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.826 -1.172 . . . . 0.0 109.061 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.27 -28.57 68.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.495 -0.753 . . . . 0.0 111.058 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.402 HD22 ' HG3' ' A' ' 87' ' ' GLU . 46.7 t30 -91.76 -0.62 57.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.843 -1.16 . . . . 0.0 110.282 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.93 125.9 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.39 -0.819 . . . . 0.0 109.158 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 159.91 33.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -40.54 97.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.343 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.3 m -64.92 -44.5 89.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 109.4 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 m -62.56 -38.82 91.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.323 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 47.5 m -61.67 -39.51 91.66 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.372 -0.83 . . . . 0.0 109.431 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.89 -38.55 75.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.862 . . . . 0.0 109.675 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.487 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.0 m -61.84 -41.62 98.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 0.0 109.214 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.58 -41.23 88.88 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.369 -0.832 . . . . 0.0 109.521 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.93 -36.66 79.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.471 -0.768 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 18.7 tttp -61.78 -41.8 98.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 109.074 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.487 ' NH1' ' O ' ' A' ' 146' ' ' SER . 66.7 mtt85 -62.05 -41.82 98.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 108.977 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.38 -43.03 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.587 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.1 mmtt -61.22 -40.49 94.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.651 -0.656 . . . . 0.0 109.699 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.493 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 47.3 t80 -57.32 -43.6 83.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.395 -0.816 . . . . 0.0 108.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.3 -40.8 94.25 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.292 -0.88 . . . . 0.0 108.831 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.352 -0.843 . . . . 0.0 109.618 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.74 -50.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.425 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.493 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 1.8 m-85 -66.81 -35.64 80.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 110.495 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.479 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 38.8 tp -59.64 -38.76 82.26 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.009 -1.057 . . . . 0.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.8 t -66.61 -45.01 80.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.248 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.69 -38.46 85.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.575 -0.703 . . . . 0.0 109.364 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.66 -42.33 95.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.334 -0.854 . . . . 0.0 109.662 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.43 -25.18 62.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.429 -0.794 . . . . 0.0 109.672 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.588 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.4 mtpt -83.16 -3.46 57.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.301 -0.874 . . . . 0.0 109.776 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.75 13.08 83.92 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -74.97 -29.63 60.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.281 -1.129 . . . . 0.0 109.743 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.4 mm -107.04 133.18 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.228 -0.92 . . . . 0.0 109.25 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.979 -1.456 . . . . 0.0 109.55 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.581 ' C ' ' H ' ' B' ' 130' ' ' ILE . 83.6 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.401 HD21 ' HD2' ' B' ' 132' ' ' LYS . 14.8 m120 -75.35 19.79 0.17 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.581 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.7 tt -65.22 -41.89 92.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 90.0 m-20 -74.57 -41.7 60.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' B' ' 129' ' ' ASN . 50.6 mttm -66.87 -40.34 87.79 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.499 0.666 . . . . 0.0 109.957 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.03 -48.69 79.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 110.452 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.5 ' O ' ' OD1' ' B' ' 135' ' ' ASP . 50.0 mt-30 -74.69 -41.36 60.38 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.555 -0.716 . . . . 0.0 110.224 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' B' ' 134' ' ' GLN . 95.6 m-20 -140.27 -120.37 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 109.896 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 87.1 mtp -120.08 -174.01 2.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.613 -0.679 . . . . 0.0 109.772 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.04 -26.33 15.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.352 -0.842 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -49.08 148.66 2.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.616 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -89.4 155.77 19.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.413 -0.804 . . . . 0.0 109.399 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.484 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm -57.05 -38.77 73.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.011 -1.055 . . . . 0.0 108.899 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.87 -34.77 76.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.279 -0.888 . . . . 0.0 108.96 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -60.3 -36.85 78.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.27 -33.65 67.84 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.77 -30.13 47.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.4 -38.16 73.84 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . 0.434 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.8 mt-30 -59.66 -36.17 75.88 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -33.5 84.98 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.47 -38.73 72.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.063 -1.257 . . . . 0.0 107.968 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.445 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.6 tt0 -60.4 -34.72 74.33 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.467 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.8 tt -55.79 -42.96 76.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 108.743 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -58.7 -41.43 86.29 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.25 -37.97 87.46 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.04 -51.1 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.94 -33.26 75.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.058 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.37 96.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.847 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.66 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.6 mtp -65.17 -39.96 93.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.019 -1.051 . . . . 0.0 109.492 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.03 -39.18 88.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 0.0 109.359 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 1.0 OUTLIER 170.27 106.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.468 -0.77 . . . . 0.0 109.131 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.96 -36.11 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.111 -0.993 . . . . 0.0 108.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -84.58 6.37 24.11 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.77 97.93 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -118.63 152.95 35.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.98 . . . . 0.0 109.142 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.1 mp -55.31 -33.41 63.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.398 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.31 -32.6 70.22 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -75.3 -23.01 57.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -0.896 . . . . 0.0 109.621 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.2 mt -101.88 135.51 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 108.896 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 89.1 p -59.77 69.17 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.42 -0.8 . . . . 0.0 110.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.4 t0 -64.58 -38.38 90.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.84 77.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.042 -1.036 . . . . 0.0 111.395 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -43.11 67.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.889 -1.132 . . . . 0.0 109.823 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.16 -38.16 90.07 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.523 -0.736 . . . . 0.0 110.228 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.587 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.1 m-20 -60.64 -43.12 97.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.506 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.74 81.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.975 -1.078 . . . . 0.0 109.849 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.588 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.88 -36.74 85.33 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.141 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.47 -35.79 81.16 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.941 -1.099 . . . . 0.0 110.693 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 27.6 m-20 -61.45 -37.33 83.17 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 120.945 -1.097 . . . . 0.0 108.505 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.73 73.1 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.8 mt -66.09 -35.44 80.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.929 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.84 -40.92 73.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.977 -1.077 . . . . 0.0 108.394 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.63 -34.7 76.13 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.546 -0.721 . . . . 0.0 109.116 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.69 -40.41 94.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.493 -0.754 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -93.78 -17.65 22.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.053 -1.03 . . . . 0.0 110.847 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -94.7 170.72 9.25 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.413 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.33 118.96 38.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' B' ' 185' ' ' LEU . 7.1 mp -91.66 143.21 27.63 Favored Pre-proline 0 C--N 1.299 -1.607 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.217 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo . . . . . 0 C--N 1.309 -1.55 0 C-N-CA 122.388 2.059 . . . . 0.0 112.154 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.71 78.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.918 . . . . 0.0 109.459 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.99 -32.74 72.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -60.67 -38.47 85.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.189 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.43 -0.794 . . . . 0.0 109.47 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.95 95.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -59.97 -39.3 85.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 108.823 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.38 -42.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.21 -47.33 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.29 83.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 108.786 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -62.41 -38.98 91.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.435 -0.79 . . . . 0.0 109.135 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.04 91.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.888 . . . . 0.0 109.078 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.84 -33.3 73.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 0.0 109.694 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.279 -0.888 . . . . 0.0 109.406 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -63.28 -43.14 98.76 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.953 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.56 -40.8 96.0 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.4 -30.83 71.49 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.19 -4.39 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.467 -0.771 . . . . 0.0 109.613 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.39 4.96 62.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -101.55 62.97 0.94 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.105 -1.232 . . . . 0.0 109.394 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.7 92.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -57.9 -42.94 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.08 -1.247 . . . . 0.0 109.843 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -65.92 -47.64 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.95 -1.094 . . . . 0.0 108.912 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.91 -32.85 83.47 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 72.5 t80 -58.44 -47.09 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.416 -1.049 . . . . 0.0 109.961 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 29.7 m-85 -66.37 -34.68 78.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.942 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.12 -36.65 84.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.042 -1.036 . . . . 0.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.406 HE22 HG21 ' A' ' 55' ' ' THR . 94.8 mt-30 -59.68 -41.52 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.976 . . . . 0.0 109.748 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.72 -39.63 91.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.97 -1.081 . . . . 0.0 109.117 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 23.2 t80 -64.93 -44.07 90.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 110.318 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.54 87.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.034 -1.041 . . . . 0.0 110.11 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.42 -46.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.458 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -63.36 -32.24 73.61 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.09 -46.05 92.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.52 -45.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 0.0 109.481 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.43 -37.45 87.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.346 -0.846 . . . . 0.0 109.583 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.0 p -68.24 -13.82 62.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -86.79 123.83 32.37 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.479 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.829 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.11 125.72 34.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.0 110.02 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -138.61 143.53 39.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.299 -0.876 . . . . 0.0 109.683 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.13 159.34 20.17 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -52.93 -34.79 56.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.86 -1.15 . . . . 0.0 108.505 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.11 -42.25 72.91 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.296 -0.878 . . . . 0.0 109.908 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.3 mtp -70.37 -41.1 73.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.044 -1.035 . . . . 0.0 109.776 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.1 m -61.92 -42.44 99.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 0.0 109.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -34.23 77.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.369 -0.832 . . . . 0.0 109.793 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 109.601 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.02 88.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 m -62.28 -45.56 92.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 110.416 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.36 -38.1 73.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.731 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.28 -39.65 95.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 mt -58.3 -38.98 78.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.286 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.82 -42.36 98.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.214 -0.929 . . . . 0.0 108.945 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 HG21 HE22 ' A' ' 28' ' ' GLN . 81.7 m -64.9 -45.91 83.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.467 -0.771 . . . . 0.0 109.805 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.22 -47.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.507 -0.746 . . . . 0.0 109.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.67 -38.33 90.61 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.055 -1.028 . . . . 0.0 109.054 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -41.42 74.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 108.887 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 64.0 t80 -66.15 -48.93 69.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.42 -0.8 . . . . 0.0 109.642 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.3 tttt -65.51 -41.62 92.99 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.299 -0.876 . . . . 0.0 109.077 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -63.07 -33.77 76.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.51 -31.15 67.63 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.449 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 78.7 mt -124.24 8.15 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.634 -0.666 . . . . 0.0 109.912 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.25 -37.98 60.68 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 1.43 64.35 Favored Glycine 0 N--CA 1.489 2.213 0 O-C-N 121.199 -1.177 . . . . 0.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.15 -38.7 77.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.894 -1.356 . . . . 0.0 108.95 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -29.14 1.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.16 -30.7 71.8 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.35 81.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.379 -0.826 . . . . 0.0 109.266 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -43.51 81.98 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.35 -39.26 92.12 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -161.29 97.6 1.12 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.87 7.23 46.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.537 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -95.35 -76.05 0.5 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.3 p -67.23 -39.06 86.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.39 -0.818 . . . . 0.0 111.194 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.35 -34.97 78.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.551 -1.343 . . . . 0.0 109.619 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.7 t60 -59.96 -45.18 93.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.59 -43.24 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.046 -1.034 . . . . 0.0 108.355 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.479 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.3 ttt -58.77 -36.73 74.88 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.74 -32.76 72.03 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.536 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.589 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 28.0 m -57.01 -37.47 71.75 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 61.8 mt -60.17 -42.04 94.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.519 -0.738 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -84.09 -45.4 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.937 . . . . 0.0 111.209 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.2 m-70 -72.49 -46.22 55.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 111.214 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.27 99.92 9.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.867 -1.146 . . . . 0.0 109.705 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.1 mp0 -64.46 -36.48 84.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -47.46 83.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.237 -0.915 . . . . 0.0 110.112 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -66.38 -42.84 87.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.0 109.096 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -37.96 89.27 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.12 72.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.37 -45.39 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.222 -0.924 . . . . 0.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.488 ' CZ ' ' OE1' ' B' ' 134' ' ' GLN . 84.7 t80 -62.63 -44.82 95.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.89 . . . . 0.0 109.069 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.7 -41.34 99.08 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.36 -39.91 94.68 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.477 ' O ' ' OG ' ' A' ' 99' ' ' SER . 0.9 OUTLIER -62.02 -46.05 90.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.401 -0.812 . . . . 0.0 109.526 179.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.52 -48.1 78.94 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.339 -0.851 . . . . 0.0 109.12 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.8 m -63.04 -45.67 91.19 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.394 -0.816 . . . . 0.0 109.167 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.413 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.8 mmm -64.69 -39.4 93.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.192 -0.942 . . . . 0.0 109.415 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.0 m -62.42 -46.63 87.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.265 -0.897 . . . . 0.0 109.206 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.623 ' CD2' ' HG ' ' A' ' 124' ' ' CYS . 59.0 tp -66.65 -45.12 80.02 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.67 -41.19 97.21 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.577 -0.702 . . . . 0.0 109.628 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.93 -39.91 93.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 110.271 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.46 -40.74 96.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 110.058 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.59 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 42.3 mmtt -64.04 -45.28 89.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.028 -1.045 . . . . 0.0 109.569 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.82 -36.66 80.78 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.59 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 29.8 tttp -61.29 -45.53 94.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.4 -36.61 82.88 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.79 -33.01 68.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.497 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 63.4 tttt -59.24 -41.27 88.36 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.686 -0.634 . . . . 0.0 109.945 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.8 m-20 -167.56 -5.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.171 -0.956 . . . . 0.0 111.225 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.5 157.67 49.85 Favored Glycine 0 N--CA 1.493 2.499 0 O-C-N 120.627 -1.296 . . . . 0.0 110.039 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.45 137.67 61.31 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.779 2.319 . . . . 0.0 112.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.403 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.22 136.33 46.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.23 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -157.3 171.97 19.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.984 . . . . 0.0 110.327 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.56 -38.73 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 59.9 ttp -54.86 -42.54 72.13 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.827 -1.17 . . . . 0.0 108.711 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.29 -35.54 79.35 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.282 -0.887 . . . . 0.0 108.994 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -57.79 -47.28 83.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -67.09 -39.81 86.85 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.419 -0.8 . . . . 0.0 109.969 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.59 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.9 t -63.79 -38.97 93.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.246 -0.909 . . . . 0.0 109.819 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.46 -41.93 97.98 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.202 -0.936 . . . . 0.0 109.406 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.477 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.9 m95 -62.43 -37.36 85.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 108.845 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.37 92.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.422 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.623 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 56.5 m -63.26 -39.88 95.85 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.265 -0.897 . . . . 0.0 109.69 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.96 -42.18 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.907 . . . . 0.0 110.039 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.39 -40.29 90.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 109.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.73 -40.66 95.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.465 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.28 -43.83 93.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.941 -1.1 . . . . 0.0 110.141 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 m -62.17 -36.38 81.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 110.034 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -65.88 -42.13 90.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.153 -0.967 . . . . 0.0 109.803 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.436 HG21 HD12 ' A' ' 131' ' ' ILE . 98.7 mt -59.57 -44.54 93.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.09 -1.006 . . . . 0.0 110.047 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.0 mt -72.04 -44.88 62.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.136 -0.978 . . . . 0.0 110.361 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.513 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 5.7 t60 -67.78 -46.09 73.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 110.972 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.409 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 94.6 mt -63.82 -32.35 73.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.94 . . . . 0.0 111.411 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -129.57 52.64 1.97 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.022 -1.049 . . . . 0.0 111.035 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -62.47 -38.27 89.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 109.336 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.499 -0.751 . . . . 0.0 111.558 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.94 1.1 57.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.673 -1.267 . . . . 0.0 110.595 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.29 128.04 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.344 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.2 m -70.74 159.84 33.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.281 -0.887 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.23 -40.25 96.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.6 m -64.63 -44.97 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.0 109.634 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 m -62.62 -38.65 91.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.0 109.438 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 55.9 m -61.84 -40.18 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.455 -0.778 . . . . 0.0 109.575 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.94 -38.77 76.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 109.904 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.89 -42.54 99.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.03 -40.96 87.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.86 -36.94 80.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.533 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.26 -39.82 94.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.076 -1.015 . . . . 0.0 108.916 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.413 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 91.2 mtt180 -61.4 -41.91 97.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 109.124 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 76.8 mt -64.66 -40.53 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.591 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.3 mmtt -60.8 -40.35 92.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.691 -0.631 . . . . 0.0 109.738 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 53.8 t80 -56.69 -43.63 80.66 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.408 -0.807 . . . . 0.0 108.956 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -40.59 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -58.57 -44.0 89.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.64 -50.59 48.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.225 -0.922 . . . . 0.0 110.733 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 1.9 m-85 -66.61 -35.62 80.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 110.472 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.477 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 34.9 tp -59.8 -38.13 81.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 108.444 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -67.12 -44.73 79.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -61.28 -38.47 86.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.459 -0.775 . . . . 0.0 109.384 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.39 -42.13 96.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 109.725 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.72 -24.63 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.706 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.587 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.5 mtpt -83.87 -4.07 58.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.296 -0.877 . . . . 0.0 109.798 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.75 12.39 84.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.91 -29.65 61.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 166' ' ' ILE . 21.2 mm -106.92 132.12 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.194 -0.941 . . . . 0.0 109.102 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 CA-C-O 118.029 -1.429 . . . . 0.0 109.575 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.592 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.401 HD21 ' HD2' ' B' ' 132' ' ' LYS . 17.0 m120 -75.44 19.92 0.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.592 ' H ' ' C ' ' B' ' 128' ' ' ILE . 21.1 tt -63.75 -42.48 96.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 135' ' ' ASP . 90.5 m-20 -75.63 -43.18 49.2 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.889 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.401 ' HD2' HD21 ' B' ' 129' ' ' ASN . 80.8 mttt -65.66 -39.36 91.27 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.417 0.627 . . . . 0.0 110.089 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -48.25 81.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.431 -0.793 . . . . 0.0 110.124 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 92' ' ' TYR . 52.7 mt-30 -72.13 -39.12 69.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.701 -0.625 . . . . 0.0 110.011 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 131' ' ' ASP . 49.6 t0 -173.19 165.39 4.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 109.402 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.425 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.7 mtt -77.88 93.02 4.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.06 -1.025 . . . . 0.0 109.092 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -136.13 160.25 39.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.855 . . . . 0.0 109.762 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -91.24 -74.35 0.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.217 -0.927 . . . . 0.0 109.5 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.98 150.03 43.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.371 -0.831 . . . . 0.0 109.753 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 84.5 mtp -60.32 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 109.16 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -59.69 -33.18 71.25 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.173 -0.954 . . . . 0.0 108.513 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.01 -36.36 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.495 -0.753 . . . . 0.0 108.97 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 3.6 mm? -60.16 -37.85 81.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.089 -1.007 . . . . 0.0 108.673 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.85 -30.08 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.24 -37.53 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.67 -36.29 76.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.6 -32.51 81.65 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -55.94 -39.27 71.46 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.033 -1.275 . . . . 0.0 107.984 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 75.3 tt0 -60.6 -33.97 73.52 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.426 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.1 tt -54.89 -44.51 74.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.53 -39.46 91.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.375 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.557 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 10.8 tm-20 -61.54 -38.38 87.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.779 . . . . 0.0 109.821 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 28.9 t -63.25 -50.33 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.076 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.57 -33.15 75.03 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.222 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.11 99.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.323 -0.861 . . . . 0.0 109.665 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.557 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 41.7 mtt -66.63 -38.7 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.945 -1.097 . . . . 0.0 109.699 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.73 -38.85 86.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.22 -0.925 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.672 ' N ' HD21 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 170.86 106.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.508 -0.745 . . . . 0.0 109.03 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.83 -35.91 71.55 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.023 -1.048 . . . . 0.0 109.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.6 p -84.13 3.37 35.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.95 97.9 0.07 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -121.97 153.45 38.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.93 . . . . 0.0 109.018 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.404 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.6 mp -55.32 -33.65 63.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 109.48 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.41 -32.33 70.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.24 -0.913 . . . . 0.0 109.599 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.27 -23.62 57.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.354 -0.841 . . . . 0.0 109.791 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 35.9 mt -102.6 134.29 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.943 . . . . 0.0 108.85 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 71.4 m -58.61 71.94 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.482 -0.761 . . . . 0.0 110.226 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.9 t0 -64.9 -39.07 92.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.47 79.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 0.0 111.282 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . 0.442 ' OE2' ' CD ' ' B' ' 174' ' ' GLU . 1.3 tm-20 -71.25 -43.39 67.34 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.876 -1.14 . . . . 0.0 109.838 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.15 -38.04 89.59 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.527 -0.733 . . . . 0.0 110.123 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.591 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.3 m-20 -60.22 -42.64 95.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 0.0 110.587 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.62 82.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.002 -1.061 . . . . 0.0 110.052 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.587 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.62 -36.5 84.45 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.44 -35.48 80.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.981 -1.074 . . . . 0.0 110.691 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 25.0 m-20 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.393 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.0 -35.35 80.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.871 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.32 71.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.97 -1.081 . . . . 0.0 108.255 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.75 -33.64 74.41 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -61.19 -40.59 94.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.443 -0.785 . . . . 0.0 110.394 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.8 -17.47 23.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 110.465 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -95.77 171.12 8.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.304 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.34 120.06 41.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.367 -0.833 . . . . 0.0 109.194 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 0.1 OUTLIER -91.43 142.66 27.18 Favored Pre-proline 0 C--N 1.3 -1.571 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.058 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 C--N 1.305 -1.723 0 C-N-CA 122.605 2.203 . . . . 0.0 112.132 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.332 0.587 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.8 78.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.338 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -60.41 -36.3 77.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -0.939 . . . . 0.0 109.212 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -60.45 -36.53 78.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.319 -0.863 . . . . 0.0 109.354 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.08 96.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.848 . . . . 0.0 109.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 -48.13 61.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.846 . . . . 0.0 109.974 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 50.2 ttt-85 -59.88 -41.97 92.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.954 . . . . 0.0 109.478 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.85 -41.86 90.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.599 -0.688 . . . . 0.0 109.145 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.65 -47.18 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.894 . . . . 0.0 109.476 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.13 84.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.027 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 86.3 m -62.54 -38.69 91.0 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.384 -0.822 . . . . 0.0 108.968 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.23 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.353 -0.842 . . . . 0.0 109.042 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -61.55 -32.08 72.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.355 -0.84 . . . . 0.0 109.471 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -60.89 -41.66 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.87 . . . . 0.0 109.698 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -63.95 -38.8 92.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.323 -0.861 . . . . 0.0 109.958 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.15 -39.79 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.963 -1.086 . . . . 0.0 109.187 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -61.52 -32.97 73.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.429 -0.794 . . . . 0.0 109.978 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -0.53 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.77 4.37 63.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.8 mt -101.6 41.37 1.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -1.167 . . . . 0.0 109.17 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.54 -32.01 37.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.28 -42.5 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.952 -1.322 . . . . 0.0 109.063 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.88 -48.13 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.934 -1.104 . . . . 0.0 108.573 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.45 81.07 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.35 -46.6 85.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -1.12 . . . . 0.0 109.73 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 27.7 m-85 -67.18 -36.97 82.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.852 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.96 -41.17 99.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 109.803 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -61.95 -40.35 95.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.071 -1.018 . . . . 0.0 108.921 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.68 -39.17 93.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.478 -0.764 . . . . 0.0 108.972 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -64.85 -46.88 80.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.71 81.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.97 -50.58 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.09 -1.006 . . . . 0.0 109.675 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -66.95 -30.28 70.37 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.14 -45.02 94.45 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.23 -44.21 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.306 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.62 -37.46 87.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.499 -0.751 . . . . 0.0 109.822 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.4 m -77.14 1.32 18.62 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.431 -0.793 . . . . 0.0 109.235 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -93.27 125.25 37.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.309 -0.869 . . . . 0.0 109.297 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.7 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -92.59 125.73 37.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.136 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -136.27 143.34 44.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.669 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.16 159.38 20.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -52.89 -34.65 55.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.832 -1.167 . . . . 0.0 108.46 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.404 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -68.68 -41.0 79.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.947 -1.095 . . . . 0.0 109.82 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -62.79 -43.86 97.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.79 72.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.79 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.23 -39.56 93.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.268 -0.895 . . . . 0.0 109.758 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.23 91.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 m -60.71 -45.92 92.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.471 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.39 -37.58 75.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 109.596 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.78 -37.13 86.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.883 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.75 -38.56 78.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 0.0 109.26 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.33 -44.16 97.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 109.511 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 m -68.25 -48.62 64.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 0.0 109.713 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -60.57 -47.62 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 109.553 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -42.07 92.56 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 109.093 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.32 87.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.166 -0.959 . . . . 0.0 109.013 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.4 t80 -62.59 -47.94 81.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.487 -0.758 . . . . 0.0 109.951 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.1 tttt -63.6 -43.56 96.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.798 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -63.31 -33.16 74.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 108.688 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.83 -31.01 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.399 -0.813 . . . . 0.0 108.85 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 71.8 mt -124.14 7.95 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.557 -0.714 . . . . 0.0 109.693 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.94 -38.13 73.51 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 2.85 63.49 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.67 -36.67 79.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.975 -1.309 . . . . 0.0 108.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 -31.27 1.27 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.84 -30.6 71.68 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.57 81.86 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.394 -0.816 . . . . 0.0 109.193 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.55 -43.58 80.05 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.49 -39.28 91.72 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.0 t -159.34 96.17 1.28 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.56 8.26 44.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 109.65 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -98.55 -75.28 0.56 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 110.112 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.5 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 87.9 p -67.08 -40.55 87.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.341 -0.849 . . . . 0.0 111.325 -178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' N ' ' HG ' ' A' ' 75' ' ' SER . 35.2 tp -66.08 -35.53 80.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.535 -1.353 . . . . 0.0 109.582 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -59.57 -44.56 93.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.175 -0.953 . . . . 0.0 109.155 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.98 -44.5 97.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.468 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 8.0 ttt -58.9 -36.58 74.93 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.671 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.13 -33.02 71.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 m -57.53 -38.52 74.82 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 72.2 mt -60.06 -40.86 90.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.555 -0.716 . . . . 0.0 109.562 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.3 mt -82.56 -45.12 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.191 -0.943 . . . . 0.0 111.557 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.671 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 41.8 m-70 -77.58 -45.72 24.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 111.408 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -76.55 98.14 4.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.853 -1.154 . . . . 0.0 109.118 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.12 -37.45 87.5 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.05 -47.38 83.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.0 110.068 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.29 -43.21 86.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 0.0 109.339 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.513 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.73 -37.84 88.85 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 108.794 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HZ3' ' ND2' ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.18 -45.64 72.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.461 -0.775 . . . . 0.0 109.68 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.83 -43.67 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.0 109.487 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.593 ' CE2' ' OE1' ' B' ' 134' ' ' GLN . 55.6 t80 -64.86 -44.12 90.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.15 -0.969 . . . . 0.0 109.5 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.35 -42.47 99.42 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.46 -41.29 96.62 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 89.9 m-20 -62.86 -42.03 99.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.366 -0.834 . . . . 0.0 109.391 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -65.36 -49.35 69.7 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.837 . . . . 0.0 109.017 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.0 m -63.54 -44.53 93.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.459 -0.776 . . . . 0.0 109.175 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.659 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 89.5 mmm -63.07 -38.85 92.84 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.255 -0.903 . . . . 0.0 109.49 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -61.82 -46.4 89.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.555 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 43.6 tp -66.15 -43.04 88.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -61.68 -41.43 97.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.533 -0.73 . . . . 0.0 109.57 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 51.2 t-20 -61.46 -40.57 95.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.198 -0.939 . . . . 0.0 109.801 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.648 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -63.62 -45.52 89.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -0.937 . . . . 0.0 109.68 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.1 mt -69.12 -35.7 76.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.095 -1.003 . . . . 0.0 108.599 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.5 tttp -59.78 -44.48 93.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 117' ' ' LEU . 41.9 tt0 -63.95 -37.38 87.19 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -59.96 -32.13 70.52 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -58.86 -39.87 82.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.581 -0.7 . . . . 0.0 110.196 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.35 -24.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.182 -0.949 . . . . 0.0 110.266 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.24 156.98 1.43 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.83 141.39 89.9 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.891 2.394 . . . . 0.0 112.812 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -106.13 138.15 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 108.886 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.17 173.02 17.44 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.919 -1.113 . . . . 0.0 110.42 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.37 -39.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.1 ttp -54.05 -41.99 68.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.993 -1.067 . . . . 0.0 108.231 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.507 ' CD2' ' OE1' ' A' ' 107' ' ' GLN . 46.6 tp -61.91 -36.95 82.86 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.424 -0.797 . . . . 0.0 109.074 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 85.2 tttt -57.64 -47.58 81.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.411 -0.806 . . . . 0.0 109.785 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -68.58 -37.48 79.89 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.576 -0.703 . . . . 0.0 110.324 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.0 p -62.31 -39.16 92.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.236 -0.915 . . . . 0.0 110.307 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.14 -40.27 95.8 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.006 -1.059 . . . . 0.0 109.211 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.482 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 46.7 m95 -62.35 -38.02 87.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.297 -0.877 . . . . 0.0 109.112 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -40.57 87.35 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.523 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.555 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 74.8 m -62.54 -40.69 97.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.869 . . . . 0.0 109.651 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.02 -42.24 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.31 -0.868 . . . . 0.0 109.898 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.13 -41.36 96.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.193 -0.942 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.47 -40.39 96.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 110.176 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -64.96 -44.11 90.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 110.044 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.5 m -60.99 -36.39 79.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.739 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.65 -43.57 84.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.892 . . . . 0.0 109.77 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.585 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 98.7 mt -59.38 -42.22 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.082 -1.011 . . . . 0.0 110.202 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.75 -45.12 75.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 0.0 110.208 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.584 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 18.4 t60 -69.93 -43.19 72.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 111.294 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.2 mt -59.36 -32.47 70.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.218 -0.926 . . . . 0.0 111.496 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -142.21 59.85 1.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.737 -1.227 . . . . 0.0 110.99 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -61.74 -38.27 87.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 109.039 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.25 -27.15 66.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.637 -0.664 . . . . 0.0 111.158 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.515 ' ND2' ' HZ3' ' A' ' 90' ' ' LYS . 8.6 t30 -91.71 -0.43 57.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.798 -1.188 . . . . 0.0 110.4 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.31 126.06 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.866 . . . . 0.0 108.927 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.85 159.76 34.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 109.539 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.4 -40.27 95.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.32 -0.862 . . . . 0.0 109.419 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.9 m -63.88 -45.69 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.364 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 m -63.47 -38.35 90.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.096 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.8 m -61.51 -39.69 91.91 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.419 -0.801 . . . . 0.0 109.445 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -57.96 -40.01 79.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.783 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 t -62.0 -40.69 96.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.0 109.038 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.491 -0.756 . . . . 0.0 109.593 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.53 -37.32 80.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 109.478 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -62.13 -41.05 97.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.01 . . . . 0.0 108.549 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.659 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.0 mtt180 -62.42 -42.89 99.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.35 -0.844 . . . . 0.0 108.799 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.7 mt -67.25 -46.96 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 17.7 mmtt -61.07 -37.29 82.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.633 -0.667 . . . . 0.0 109.372 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -56.22 -43.8 78.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 25.3 m -66.24 -42.13 89.04 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.56 -44.09 89.59 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.446 -0.784 . . . . 0.0 109.726 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.8 mt -69.61 -50.17 52.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 110.507 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.7 m-85 -66.83 -36.63 82.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.197 -0.939 . . . . 0.0 110.467 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.482 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.0 tp -60.39 -37.51 81.02 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.9 m -66.64 -45.17 79.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.937 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -60.37 -37.19 79.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.42 -0.8 . . . . 0.0 109.695 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.68 -35.33 74.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.193 -0.942 . . . . 0.0 108.529 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.65 71.29 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.556 -0.715 . . . . 0.0 109.662 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.493 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 49.7 mttm -77.96 -16.29 58.28 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.052 -1.03 . . . . 0.0 109.011 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.03 11.25 76.81 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.63 -29.16 61.18 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.548 -0.972 . . . . 0.0 109.93 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.4 mm -101.94 131.18 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.092 -1.005 . . . . 0.0 109.031 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.646 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.6 ' C ' ' H ' ' B' ' 130' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.411 HD21 ' N ' ' B' ' 129' ' ' ASN . 2.8 m120 -75.34 19.95 0.16 Allowed 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.6 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.6 tt -66.51 -42.1 89.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.496 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.9 m-20 -69.82 -41.91 74.35 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.698 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 135' ' ' ASP . 48.9 mttm -66.81 -46.01 76.56 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.674 0.749 . . . . 0.0 109.057 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.47 -46.24 83.91 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.887 0.851 . . . . 0.0 109.527 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.593 ' OE1' ' CE2' ' A' ' 92' ' ' TYR . 0.7 OUTLIER -63.16 -36.72 84.57 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.782 -0.574 . . . . 0.0 110.101 -179.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' B' ' 136' ' ' MET . 58.3 t0 -160.37 -128.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.027 -1.046 . . . . 0.0 109.974 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.558 ' H ' ' CG ' ' B' ' 135' ' ' ASP . 70.0 mtm -103.18 -170.24 1.76 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.18 -28.38 40.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 0.0 109.565 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -50.35 149.2 3.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 0.0 109.316 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -97.82 165.93 11.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 109.768 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 52.8 mtp -57.48 -45.05 85.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.378 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.0 -34.44 78.11 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.325 -0.86 . . . . 0.0 108.89 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.02 -37.54 80.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.78 -33.99 69.12 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.56 -30.61 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.16 -0.963 . . . . 0.0 108.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.02 -38.36 70.41 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . 0.413 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 7.1 tt0 -59.25 -36.51 75.62 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.42 81.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -55.79 -39.64 71.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.041 -1.27 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 tt0 -60.47 -34.16 73.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.8 tt -55.26 -44.66 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.08 -41.42 96.61 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 0.0 108.819 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.564 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.9 -38.34 88.01 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.701 -0.624 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 33.3 t -64.75 -50.67 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 110.24 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -67.01 -33.24 75.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.126 -0.984 . . . . 0.0 109.169 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.06 97.82 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 83.7 mtp -64.7 -37.2 86.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.0 t-20 -60.4 -38.89 85.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 109.363 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.64 106.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.401 -0.812 . . . . 0.0 109.217 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.33 -35.58 72.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.161 -0.962 . . . . 0.0 109.193 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.4 p -82.37 0.68 40.78 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -60.92 99.36 0.19 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -114.93 152.03 33.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.481 -1.011 . . . . 0.0 109.34 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 40.4 mt -55.06 -32.74 62.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -0.907 . . . . 0.0 109.463 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -58.92 -30.39 67.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.9 . . . . 0.0 109.371 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -75.45 -21.19 58.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.613 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.1 mt -101.82 131.71 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.22 -0.925 . . . . 0.0 108.784 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 66.6 m -58.06 72.43 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 0.0 110.392 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.3 t0 -64.2 -36.67 84.84 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.011 -1.055 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.28 71.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.016 -1.053 . . . . 0.0 112.014 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.9 67.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.752 -1.218 . . . . 0.0 109.823 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.36 -38.61 90.23 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.676 -0.64 . . . . 0.0 110.531 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 90.8 m-20 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.136 -0.977 . . . . 0.0 110.496 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.47 86.05 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.007 -1.058 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.493 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.08 -37.62 86.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.235 -0.916 . . . . 0.0 110.298 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.77 -35.19 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.957 -1.089 . . . . 0.0 110.439 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 33.0 m-20 -61.67 -36.84 81.98 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.81 71.37 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.075 -1.016 . . . . 0.0 108.339 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.07 -37.14 83.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.49 -0.756 . . . . 0.0 110.067 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.56 -43.27 84.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.56 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.56 -36.71 81.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.353 -0.842 . . . . 0.0 109.445 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.8 tm-20 -70.77 -45.42 64.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.325 -0.859 . . . . 0.0 110.169 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.579 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.3 m-20 -70.13 -36.63 74.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.121 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.17 173.49 11.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.448 -0.782 . . . . 0.0 109.223 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.02 121.17 44.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.367 -0.833 . . . . 0.0 109.097 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 6.9 mp -90.77 143.26 28.6 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.296 1.997 . . . . 0.0 112.217 -179.738 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.261 0.553 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.83 78.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -60.43 -36.83 79.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 109.444 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -60.62 -36.55 78.89 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.307 -0.87 . . . . 0.0 109.38 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.6 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.319 -0.863 . . . . 0.0 109.583 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.6 88.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.919 . . . . 0.0 110.064 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 46.8 ttt-85 -59.89 -41.34 91.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.133 -0.979 . . . . 0.0 109.287 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.63 -40.36 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.38 -47.61 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.188 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.66 82.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.285 -0.884 . . . . 0.0 108.713 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 47.1 m -61.39 -38.65 87.81 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -39.19 80.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.402 -0.811 . . . . 0.0 108.841 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -60.54 -33.27 72.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.376 -0.828 . . . . 0.0 109.139 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.37 -38.89 85.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 109.215 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -63.06 -43.47 98.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.248 -0.907 . . . . 0.0 108.85 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.36 -41.45 97.08 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.98 -29.04 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.86 -9.44 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.516 -0.74 . . . . 0.0 109.473 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.29 4.73 62.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.2 mt -103.94 58.77 0.73 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -1.172 . . . . 0.0 109.151 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.88 62.77 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.432 ' CD1' ' OE1' ' B' ' 134' ' ' GLN . 69.1 mt -57.47 -43.4 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.95 -1.323 . . . . 0.0 109.585 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.69 -47.47 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.041 -1.037 . . . . 0.0 108.797 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.43 84.11 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 73.0 t80 -58.24 -47.88 82.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -1.036 . . . . 0.0 109.96 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.4 m-85 -66.41 -34.92 79.03 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.081 -1.012 . . . . 0.0 109.814 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.65 -36.89 85.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.56 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.82 -41.63 87.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.098 -1.001 . . . . 0.0 108.968 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.7 -37.5 84.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.175 -0.953 . . . . 0.0 108.823 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.546 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 72.4 t80 -60.72 -46.08 91.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.523 -0.736 . . . . 0.0 110.546 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.87 85.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 110.092 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.992 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.644 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -65.2 -33.36 75.81 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.431 -0.793 . . . . 0.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' N ' HD11 ' A' ' 34' ' ' LEU . 6.7 mp -61.23 -45.5 94.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.553 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.83 -45.5 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.893 . . . . 0.0 109.388 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.64 -36.57 84.68 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.396 -0.815 . . . . 0.0 109.696 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -68.04 -14.3 62.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -91.06 123.74 34.76 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.508 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.383 -0.823 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.96 125.85 32.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.177 -0.952 . . . . 0.0 110.009 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.69 144.27 37.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.605 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 45' ' ' MET . 55.0 m -114.1 160.39 18.99 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.89 -34.84 56.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.974 -1.079 . . . . 0.0 108.533 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.15 -44.57 68.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.269 -0.894 . . . . 0.0 109.815 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.402 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -69.82 -40.9 75.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.957 -1.089 . . . . 0.0 109.981 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 m -63.08 -42.86 99.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.755 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.43 76.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.814 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.33 -40.63 96.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.286 -0.884 . . . . 0.0 109.659 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.06 92.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.13 -0.982 . . . . 0.0 109.527 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.66 -45.85 92.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.422 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -38.31 77.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.229 -0.92 . . . . 0.0 109.908 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.1 -1.0 . . . . 0.0 109.977 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.82 -40.47 84.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.979 -1.076 . . . . 0.0 109.394 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.9 -42.19 99.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.29 -0.881 . . . . 0.0 109.308 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 m -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.81 -51.22 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.077 -1.015 . . . . 0.0 109.204 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.04 -38.49 88.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -0.93 . . . . 0.0 109.584 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.72 88.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.165 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.25 -48.93 60.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.368 -0.833 . . . . 0.0 109.65 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.8 tttt -64.08 -39.68 94.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.377 -0.827 . . . . 0.0 109.34 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -62.91 -33.96 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.98 -31.49 68.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.516 -0.74 . . . . 0.0 109.165 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 76.0 mt -123.63 9.72 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.559 -0.713 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.24 -37.92 55.78 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.78 3.06 64.48 Favored Glycine 0 N--CA 1.489 2.214 0 O-C-N 121.217 -1.167 . . . . 0.0 110.282 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.78 -37.15 83.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.041 -1.27 . . . . 0.0 109.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.92 -29.66 1.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.47 -31.33 72.46 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.77 81.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.504 -0.747 . . . . 0.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.67 -44.13 81.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.608 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.72 -39.68 94.06 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -158.49 94.89 1.3 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.2 p30 -93.06 6.44 47.96 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.93 . . . . 0.0 109.675 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -95.53 -74.83 0.54 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.279 -0.888 . . . . 0.0 110.008 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -67.16 -38.15 84.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.416 -0.803 . . . . 0.0 111.393 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.81 -36.48 72.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.547 -1.346 . . . . 0.0 109.726 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.42 -45.32 94.06 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.7 -41.76 93.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.459 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.7 ttt -58.85 -36.46 74.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.94 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -56.92 -37.68 71.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 59.3 mt -60.26 -40.88 91.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.458 -0.776 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.2 mt -85.68 -45.49 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.258 -0.901 . . . . 0.0 111.361 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.469 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 87.0 m-70 -73.26 -46.29 50.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 0.0 111.195 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.28 100.95 9.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.836 -1.165 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.55 -37.27 86.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.468 -0.77 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.8 -47.46 83.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 110.411 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -66.1 -41.8 90.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.327 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.76 88.54 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.289 -0.882 . . . . 0.0 108.795 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -45.77 68.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.658 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 91' ' ' ILE . 75.6 mt -62.76 -46.14 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.927 . . . . 0.0 109.907 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -62.85 -44.21 96.72 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.141 -0.974 . . . . 0.0 109.384 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.93 -43.23 99.37 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.161 -0.962 . . . . 0.0 108.879 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.94 -42.16 99.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.471 -0.768 . . . . 0.0 109.051 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.486 ' O ' ' OG ' ' A' ' 99' ' ' SER . 94.8 m-20 -62.6 -41.02 98.72 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.536 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.19 -49.36 70.05 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.237 -0.914 . . . . 0.0 108.944 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.1 m -63.27 -45.32 92.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.402 -0.811 . . . . 0.0 108.893 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.653 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.5 mmm -63.21 -39.51 94.84 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.336 -0.853 . . . . 0.0 109.423 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.4 m -62.65 -46.45 88.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.008 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 57.1 tp -66.38 -44.41 83.22 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -61.62 -41.56 97.64 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.567 -0.708 . . . . 0.0 109.695 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 46.3 t30 -61.86 -39.56 92.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.297 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.35 -39.82 94.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.134 -0.979 . . . . 0.0 109.971 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.581 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 29.4 mmtp -63.6 -45.2 91.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.077 -1.014 . . . . 0.0 109.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.09 -36.6 82.31 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.885 -1.135 . . . . 0.0 108.176 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.586 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 14.2 tttt -60.56 -46.03 91.71 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.33 -36.87 83.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.6 tp -58.03 -33.15 68.67 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 16.6 tttt -59.18 -39.36 82.31 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.756 -0.59 . . . . 0.0 110.016 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.24 -20.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.155 -0.966 . . . . 0.0 110.924 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.94 158.03 3.14 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.19 138.96 69.72 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.937 2.424 . . . . 0.0 112.609 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.404 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.3 m-90 -106.58 135.84 47.4 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -157.56 172.06 19.23 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.939 -1.101 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.4 t -55.65 -38.86 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.6 ttm -54.98 -42.45 72.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.982 -1.074 . . . . 0.0 108.687 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.1 tp -62.33 -35.76 80.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.951 . . . . 0.0 109.004 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -57.34 -47.1 82.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.489 -0.757 . . . . 0.0 109.998 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -67.72 -39.76 84.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.38 -0.825 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.581 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 14.8 m -62.92 -39.88 95.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.868 . . . . 0.0 109.931 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.88 -40.6 95.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.207 -0.933 . . . . 0.0 109.197 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.451 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 42.0 m95 -63.44 -38.55 91.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.26 -0.9 . . . . 0.0 109.077 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.66 -39.73 91.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.529 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 66.6 m -62.96 -40.22 97.02 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.624 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.56 -42.02 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.3 -40.2 89.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.087 -1.008 . . . . 0.0 109.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.72 -39.18 93.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 110.421 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -64.72 -44.75 89.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 110.128 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -62.34 -36.47 82.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 109.868 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.546 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 95.8 m -64.62 -43.17 94.59 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.984 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 131' ' ' ILE . 95.9 mt -58.97 -45.09 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 110.139 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.85 -41.81 82.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.014 -1.054 . . . . 0.0 109.826 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.644 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 6.6 t60 -70.08 -45.24 67.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.487 -0.758 . . . . 0.0 110.706 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.59 -34.09 76.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.332 -0.855 . . . . 0.0 111.439 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -140.1 55.56 1.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.759 -1.213 . . . . 0.0 110.632 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -38.22 89.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.258 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.76 -25.72 66.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.47 -0.769 . . . . 0.0 110.786 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -91.46 1.21 57.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.836 -1.165 . . . . 0.0 110.142 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.03 130.91 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 109.183 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 m -70.5 159.91 33.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.932 . . . . 0.0 109.391 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.64 -38.06 89.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.96 . . . . 0.0 109.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.9 m -64.31 -44.88 90.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.905 . . . . 0.0 109.425 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 m -63.48 -39.1 93.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.351 -0.843 . . . . 0.0 109.386 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 51.4 m -61.71 -39.59 92.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.0 109.62 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.68 -41.19 81.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.288 -0.882 . . . . 0.0 109.587 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.99 -40.83 97.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.376 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.05 -41.61 90.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.391 -0.818 . . . . 0.0 109.74 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.41 -38.36 86.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.467 -0.771 . . . . 0.0 109.446 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.64 -40.65 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.653 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.5 mtt180 -61.18 -42.58 98.82 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.293 -0.879 . . . . 0.0 109.27 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.92 -40.88 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.7 mmtt -61.09 -39.65 90.74 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.398 0.618 . . . . 0.0 109.862 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.422 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 48.6 t80 -57.86 -43.71 86.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.491 -0.756 . . . . 0.0 109.149 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.43 -40.59 93.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 108.943 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.69 -43.8 90.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.416 -0.803 . . . . 0.0 109.631 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.4 -50.46 51.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 111.03 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.445 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 m-85 -66.56 -35.6 80.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 110.38 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.451 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.9 tp -59.89 -36.01 76.04 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 108.518 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.584 ' HG ' ' N ' ' A' ' 160' ' ' LYS . 59.2 p -69.04 -44.32 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 110.048 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.584 ' N ' ' HG ' ' A' ' 159' ' ' SER . 50.4 mtpt -63.19 -37.41 87.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.772 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 21.5 mt -60.26 -36.79 78.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.22 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.6 -26.66 65.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.331 -0.855 . . . . 0.0 109.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.59 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 27.6 mttt -77.97 -16.27 58.28 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.077 -1.014 . . . . 0.0 109.43 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.23 10.21 80.67 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.239 -1.945 . . . . 0.0 108.239 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.52 -27.75 60.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.549 -0.971 . . . . 0.0 109.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -101.78 126.39 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.992 . . . . 0.0 108.829 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.512 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.609 ' C ' ' H ' ' B' ' 130' ' ' ILE . 72.8 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.585 ' C ' HD21 ' B' ' 129' ' ' ASN . 0.3 OUTLIER -73.58 20.25 0.1 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.609 ' H ' ' C ' ' B' ' 128' ' ' ILE . 19.4 tt -63.23 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' B' ' 138' ' ' ASP . 89.0 m-20 -71.94 -41.46 67.79 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.829 0.823 . . . . 0.0 108.785 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -66.97 -41.34 87.03 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.468 0.651 . . . . 0.0 109.953 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.25 -47.49 79.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.444 -0.785 . . . . 0.0 110.26 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.432 ' OE1' ' CD1' ' A' ' 22' ' ' ILE . 8.9 mm100 -68.36 -37.16 80.21 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.949 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 51.7 p30 -163.84 164.63 23.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.962 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.2 mtt -61.51 -31.68 71.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.34 -0.85 . . . . 0.0 109.841 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -52.96 126.52 20.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 0.0 109.73 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.536 ' O ' ' CB ' ' B' ' 131' ' ' ASP . 87.9 m-20 -66.33 -38.9 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.432 -0.792 . . . . 0.0 110.629 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' B' ' 141' ' ' LEU . 46.8 tp10 -126.42 138.8 53.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.089 -1.007 . . . . 0.0 110.518 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.42 -36.95 83.98 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.728 0.775 . . . . 0.0 109.624 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -56.85 -33.68 67.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.121 -0.987 . . . . 0.0 109.212 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.21 -37.6 77.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.197 -0.939 . . . . 0.0 108.96 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.75 -34.01 70.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.356 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.8 -29.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.006 -1.059 . . . . 0.0 108.324 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.47 -38.34 74.34 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.6 mt-30 -59.44 -35.95 75.0 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.21 -33.35 84.0 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.0 -38.83 71.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.053 -1.263 . . . . 0.0 107.85 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.586 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.87 -34.17 74.2 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.4 tt -54.86 -45.29 74.55 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.4 -40.0 92.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.445 -0.784 . . . . 0.0 109.269 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.559 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 2.8 tm-20 -62.01 -39.05 90.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 109.753 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 30.7 t -64.47 -50.76 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.87 . . . . 0.0 110.357 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -67.09 -33.86 76.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.125 -0.984 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -64.66 -43.3 94.05 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.31 -0.869 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.559 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 55.7 mtt -69.75 -39.81 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.975 . . . . 0.0 109.875 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.9 -43.5 98.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.674 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.581 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.3 t-20 -176.35 102.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 23.9 m120 -57.94 -35.9 71.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.166 -0.959 . . . . 0.0 109.088 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 37.9 p -84.97 5.19 30.2 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . 0.581 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.46 97.77 0.06 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -125.6 151.47 46.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.558 -0.966 . . . . 0.0 109.112 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.0 mp -56.53 -34.26 66.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.504 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.23 -32.51 70.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.362 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -75.48 -27.29 58.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.458 -0.776 . . . . 0.0 110.005 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -99.45 131.04 47.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 108.766 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' SER . . . . . 0.49 ' O ' ' OG ' ' B' ' 167' ' ' SER . 17.1 p -58.55 72.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.414 -0.804 . . . . 0.0 110.355 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -62.8 -36.55 83.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -0.943 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.58 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.058 -1.026 . . . . 0.0 111.78 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . 0.402 ' OE1' ' C ' ' B' ' 170' ' ' GLU . 0.5 OUTLIER -72.84 -37.21 67.5 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.741 -1.224 . . . . 0.0 109.672 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 35.3 mt -65.3 -38.43 90.18 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.615 -0.678 . . . . 0.0 109.937 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.3 m-20 -62.51 -43.31 99.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.365 -0.834 . . . . 0.0 110.704 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.76 89.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.091 -1.005 . . . . 0.0 109.929 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.59 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -65.03 -36.98 86.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.104 -0.998 . . . . 0.0 110.15 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 20.5 tp -66.66 -35.08 79.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.976 -1.078 . . . . 0.0 110.674 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.479 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 21.9 m-20 -61.52 -37.02 82.21 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.338 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.69 -43.4 69.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.095 -1.003 . . . . 0.0 108.335 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 97.7 mt -66.48 -35.08 79.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.403 -0.811 . . . . 0.0 109.673 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.63 -40.09 71.69 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.064 -1.022 . . . . 0.0 108.41 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -61.99 -33.75 74.89 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.29 -40.6 94.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.457 -0.777 . . . . 0.0 110.751 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -93.24 -17.47 23.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -100.54 171.76 7.53 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.25 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.41 126.15 53.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.346 -0.846 . . . . 0.0 109.55 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 0.5 OUTLIER -91.14 142.0 26.87 Favored Pre-proline 0 C--N 1.3 -1.547 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.111 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 C--N 1.31 -1.476 0 C-N-CA 122.223 1.949 . . . . 0.0 112.219 -179.633 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.593 ' H1 ' ' ND2' ' A' ' 4' ' ' ASN . 87.8 mtp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.78 78.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.087 -1.008 . . . . 0.0 109.555 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m -60.28 -36.45 77.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -0.871 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.593 ' ND2' ' H1 ' ' A' ' 1' ' ' MET . 87.2 m-20 -60.42 -36.7 78.77 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.202 -0.936 . . . . 0.0 109.464 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.89 94.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.268 -0.895 . . . . 0.0 109.422 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.74 -48.19 67.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.968 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.458 HH12 ' C ' ' A' ' 122' ' ' TRP . 48.5 ttt180 -60.99 -40.98 95.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.942 . . . . 0.0 109.252 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.78 -42.08 90.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.6 t -66.16 -47.83 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.69 84.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.304 -0.873 . . . . 0.0 108.873 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -61.39 -38.79 88.33 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.53 83.44 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.73 -31.86 72.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.0 109.365 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -60.77 -41.44 95.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.647 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -63.95 -38.27 90.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.744 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.99 -39.06 88.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 0.0 109.076 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -60.45 -33.3 72.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -3.66 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.309 -0.87 . . . . 0.0 109.968 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.82 4.75 63.28 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.1 mt -99.1 50.59 0.95 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 0.0 109.363 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.66 -31.78 57.99 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.524 ' CD1' HE22 ' B' ' 134' ' ' GLN . 74.9 mt -57.47 -42.82 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -1.22 . . . . 0.0 109.458 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.12 -48.07 82.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 120.93 -1.106 . . . . 0.0 108.775 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.68 81.14 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.73 -47.87 83.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -1.13 . . . . 0.0 109.678 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.5 m-85 -67.37 -36.72 81.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.01 . . . . 0.0 110.11 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.19 -41.28 98.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.093 -1.005 . . . . 0.0 109.779 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.32 -40.22 95.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.14 -39.65 93.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.401 -0.812 . . . . 0.0 109.177 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.81 -47.3 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.85 . . . . 0.0 110.001 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.69 81.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 109.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -60.37 -50.86 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.06 -1.025 . . . . 0.0 109.625 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.6 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -67.32 -30.37 70.19 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.34 -45.03 94.89 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.254 0.549 . . . . 0.0 109.559 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.06 -41.77 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 0.0 109.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -0.793 . . . . 0.0 109.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -67.22 -16.79 64.5 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.01 122.62 30.3 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.474 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -35.59 80.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -86.02 125.78 33.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -137.31 143.91 42.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.415 ' H ' ' HB2' ' A' ' 45' ' ' MET . 95.3 p -114.08 163.19 15.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -53.44 -35.41 60.45 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.959 -1.088 . . . . 0.0 108.692 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.01 -45.18 67.8 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.415 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.7 mtp -68.99 -40.72 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.027 -1.046 . . . . 0.0 109.925 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 m -62.72 -43.63 98.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 0.0 109.518 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.32 75.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.805 . . . . 0.0 109.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.36 -40.7 97.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.71 87.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.003 . . . . 0.0 109.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -61.45 -45.81 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -0.824 . . . . 0.0 110.536 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.02 -37.78 74.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.2 -37.07 86.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.259 -0.9 . . . . 0.0 110.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -58.64 -38.86 78.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.999 -1.063 . . . . 0.0 109.396 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.23 -43.51 98.65 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 m -66.44 -46.46 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.836 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.79 -49.4 84.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.405 -0.809 . . . . 0.0 109.569 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.68 -40.09 95.95 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.11 -0.994 . . . . 0.0 109.181 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.45 -41.43 80.27 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.679 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.3 t80 -63.73 -48.45 77.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.438 -0.789 . . . . 0.0 109.696 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 58.1 tttt -64.08 -41.0 97.47 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.371 -0.83 . . . . 0.0 109.304 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -63.22 -34.21 77.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 108.623 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -59.67 -31.76 69.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.538 -0.727 . . . . 0.0 109.207 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 71.6 mt -122.97 11.55 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.585 -0.697 . . . . 0.0 109.756 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.0 -34.11 22.8 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.29 15.81 52.24 Favored Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.119 -1.224 . . . . 0.0 110.497 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.77 -87.77 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.862 -1.376 . . . . 0.0 108.528 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -69.75 -34.41 73.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.89 -30.4 71.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.604 -0.685 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.89 -40.55 80.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.212 -0.93 . . . . 0.0 109.262 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -43.26 86.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.95 -39.52 87.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.712 0.768 . . . . 0.0 109.06 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.48 ' O ' ' OG ' ' A' ' 72' ' ' SER . 10.1 p -163.74 99.19 0.89 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -99.59 4.88 46.0 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.266 -0.896 . . . . 0.0 109.569 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -93.89 -76.14 0.49 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.2 p -66.96 -37.22 83.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.34 -0.85 . . . . 0.0 111.166 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.29 -35.64 78.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.535 -1.353 . . . . 0.0 109.725 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.578 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.2 t60 -60.14 -45.48 92.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.247 -0.908 . . . . 0.0 109.718 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -65.51 -42.22 92.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.109 -0.994 . . . . 0.0 108.511 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.463 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.9 ttt -58.75 -36.43 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.39 -32.68 71.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -56.8 -37.75 71.58 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 62.3 mt -60.43 -41.31 93.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.508 -0.745 . . . . 0.0 109.595 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -85.44 -45.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.231 -0.918 . . . . 0.0 111.336 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.478 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -72.91 -46.51 52.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.287 -0.883 . . . . 0.0 111.209 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.37 100.71 9.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.955 -1.091 . . . . 0.0 109.606 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.51 -36.86 85.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.376 -0.827 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HG3' HD22 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.72 -47.4 83.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 110.291 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.982 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.89 89.03 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -45.64 72.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.428 -0.795 . . . . 0.0 109.698 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.3 -44.23 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.595 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.85 -41.95 95.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.15 -40.96 97.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 108.812 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.61 -41.26 96.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 108.919 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.5 ' ND2' ' CD1' ' B' ' 144' ' ' ILE . 2.1 m120 -60.65 -42.33 96.75 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.324 -0.86 . . . . 0.0 109.444 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -66.3 -49.05 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.31 -0.869 . . . . 0.0 109.055 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.9 m -62.05 -44.66 96.21 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.401 -0.812 . . . . 0.0 109.221 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 90.4 mmm -62.65 -38.54 90.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.163 -0.96 . . . . 0.0 109.392 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 m -62.69 -46.21 89.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.105 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.63 ' CD2' ' HG ' ' A' ' 124' ' ' CYS . 52.1 tp -67.18 -43.31 82.51 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -61.03 -43.06 99.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.546 -0.721 . . . . 0.0 109.199 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -62.67 -39.05 92.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.746 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.14 -42.25 99.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.832 . . . . 0.0 110.034 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.6 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 16.2 mmtt -64.76 -45.43 86.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.043 -1.035 . . . . 0.0 109.437 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.75 -36.58 80.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.177 -0.952 . . . . 0.0 108.644 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 31.6 tttp -60.85 -46.22 91.44 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.11 -36.77 84.7 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -58.97 -31.95 69.21 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.657 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 68.1 tttt -58.85 -34.84 72.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.611 -0.681 . . . . 0.0 109.942 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -175.36 -26.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.093 -1.004 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -47.45 158.04 0.62 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.48 141.12 85.46 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.972 2.448 . . . . 0.0 112.692 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -106.01 135.72 46.97 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -152.09 174.31 13.85 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.955 -1.091 . . . . 0.0 110.58 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.63 -39.84 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.673 -0.642 . . . . 0.0 109.369 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 61.5 mtt -57.75 -39.16 76.73 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.846 -1.159 . . . . 0.0 108.702 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 32.9 tp -61.48 -40.16 93.53 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.594 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 82.8 tttt -62.24 -48.8 78.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.542 0.687 . . . . 0.0 109.758 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -68.96 -40.95 78.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.436 -0.79 . . . . 0.0 109.572 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.6 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -62.74 -37.77 87.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.806 . . . . 0.0 109.5 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.71 -42.42 98.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 109.53 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.467 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 47.7 m95 -60.84 -37.05 80.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 108.865 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.7 94.86 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.545 -0.722 . . . . 0.0 109.555 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.63 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 33.9 m -62.67 -39.55 94.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.8 mt -58.11 -42.48 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.837 . . . . 0.0 109.974 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.65 -40.15 93.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.234 -0.916 . . . . 0.0 110.476 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.04 -43.81 91.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.005 -1.059 . . . . 0.0 110.106 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 m -61.71 -36.03 79.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.117 -0.989 . . . . 0.0 109.842 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -65.21 -41.59 94.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 0.0 109.822 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.559 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.6 mt -59.43 -44.93 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.096 -1.003 . . . . 0.0 110.326 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.13 -41.63 85.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.001 . . . . 0.0 110.34 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.6 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 19.1 t60 -70.25 -46.17 64.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 111.016 -179.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.87 -34.22 75.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.251 -0.906 . . . . 0.0 111.292 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -139.81 53.31 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 110.71 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -38.14 89.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 109.032 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.21 -25.32 66.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.439 -0.788 . . . . 0.0 110.642 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.403 HD22 ' HG3' ' A' ' 87' ' ' GLU . 51.8 t30 -91.48 1.44 57.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.885 -1.134 . . . . 0.0 110.315 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.5 mt -117.34 129.98 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.077 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.57 159.85 33.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.515 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.15 -44.81 94.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.38 -38.58 91.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.344 -0.848 . . . . 0.0 109.404 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.7 m -61.63 -40.35 94.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.43 -0.793 . . . . 0.0 109.694 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.93 -40.0 79.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 109.596 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -62.71 -40.87 98.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.348 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.9 -41.76 91.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.354 -0.841 . . . . 0.0 109.662 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.4 -38.31 86.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.517 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -62.46 -41.27 98.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.907 . . . . 0.0 109.056 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.6 mtt180 -61.67 -42.4 98.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.214 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.9 mt -66.04 -41.76 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.322 -0.861 . . . . 0.0 108.795 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.583 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.5 mmtt -61.09 -39.07 88.54 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.551 -0.718 . . . . 0.0 109.793 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -57.31 -43.68 83.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.389 -0.819 . . . . 0.0 108.901 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.16 -41.4 94.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.0 108.823 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . 0.459 ' NZ ' ' OD1' ' B' ' 176' ' ' ASP . 20.9 tttt -58.48 -43.89 89.12 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.319 -0.863 . . . . 0.0 109.63 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.6 mt -69.49 -50.51 50.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.451 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 m-85 -66.93 -35.97 81.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.928 . . . . 0.0 110.484 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.467 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.4 tp -59.85 -37.18 78.54 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.9 m -66.27 -46.16 77.98 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.35 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.4 -38.07 85.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.616 -0.678 . . . . 0.0 109.717 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.83 -41.5 97.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.81 61.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 109.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.488 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.8 mtpt -83.63 -2.54 56.33 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.272 -0.892 . . . . 0.0 109.806 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.46 12.5 84.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -75.01 -29.19 60.79 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.26 -1.141 . . . . 0.0 109.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.0 mm -106.71 133.91 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.183 -0.948 . . . . 0.0 109.32 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.978 -1.457 . . . . 0.0 109.55 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.622 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.622 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 16.9 m120 -75.48 19.93 0.17 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.572 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.4 tt -65.12 -42.2 93.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.49 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 89.1 m-20 -72.03 -41.01 68.01 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.402 ' HD2' HD21 ' B' ' 129' ' ' ASN . 76.2 mttt -67.0 -42.23 85.36 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.386 0.612 . . . . 0.0 109.817 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.14 -47.8 78.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.0 110.185 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.524 HE22 ' CD1' ' A' ' 22' ' ' ILE . 6.3 mm-40 -71.45 -36.31 71.2 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.594 ' OD1' ' N ' ' B' ' 136' ' ' MET . 54.0 p30 -167.54 -123.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 0.0 109.867 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.594 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 70.3 mtm -92.43 156.92 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.908 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . 62.8 tt0 -55.91 -28.57 57.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.466 -0.771 . . . . 0.0 109.933 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 137' ' ' GLN . 89.0 m-20 -42.06 138.63 1.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.772 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.37 149.7 28.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.807 . . . . 0.0 109.964 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 68.8 mtm -57.33 -37.67 72.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.334 -0.854 . . . . 0.0 108.703 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.82 -33.23 68.39 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.91 -36.64 75.04 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 48.3 mt -58.04 -31.94 67.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.5 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 41.9 mm -67.36 -32.0 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.62 -38.55 69.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.12 -36.24 74.85 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.48 81.06 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.92 -39.2 71.32 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.979 -1.306 . . . . 0.0 107.883 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 76.9 tt0 -61.01 -33.85 73.92 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.0 tt -55.05 -44.15 74.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.52 -40.05 90.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 109.168 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.568 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.6 tm-20 -62.26 -37.19 84.5 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.489 -0.757 . . . . 0.0 109.701 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.72 -50.14 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 110.476 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -66.24 -33.4 75.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.155 -0.965 . . . . 0.0 109.269 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.0 109.625 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.657 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.6 mtp -66.72 -41.01 88.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.983 -1.073 . . . . 0.0 110.001 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.82 -46.3 90.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.8 t-20 -177.55 104.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 87.9 m-20 -57.83 -35.97 71.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 108.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 39.4 p -86.13 6.59 28.52 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . 0.592 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.45 97.8 0.06 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -121.63 153.44 38.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.598 -0.943 . . . . 0.0 108.993 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.411 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.7 mp -55.96 -34.39 65.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.441 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.46 -33.28 71.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.226 -0.921 . . . . 0.0 109.671 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.32 -27.31 59.21 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.297 -0.877 . . . . 0.0 110.133 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.4 mt -98.2 134.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.437 -0.789 . . . . 0.0 108.996 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 94.7 p -60.35 68.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.42 -0.8 . . . . 0.0 110.261 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -63.81 -38.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.68 77.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.007 . . . . 0.0 111.176 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.35 -42.51 68.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.915 -1.116 . . . . 0.0 109.829 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.409 HD22 ' HZ1' ' A' ' 163' ' ' LYS . 81.1 mt -63.53 -38.33 90.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.691 . . . . 0.0 110.173 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.583 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.6 m-20 -60.73 -42.51 97.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.185 -0.947 . . . . 0.0 110.485 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.85 88.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.488 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.7 -38.12 83.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.213 -0.929 . . . . 0.0 110.19 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.1 tp -68.14 -37.34 80.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.142 -0.974 . . . . 0.0 110.485 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.459 ' OD1' ' NZ ' ' A' ' 155' ' ' LYS . 96.2 m-20 -62.97 -39.7 95.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.007 -1.058 . . . . 0.0 109.129 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.93 -42.94 66.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 108.362 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.67 -37.69 87.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.64 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.68 -41.54 70.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.088 -1.007 . . . . 0.0 109.061 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.37 -36.86 81.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 108.942 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.432 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -67.13 -45.3 77.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 110.019 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.594 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 50.8 m-20 -72.16 -35.46 69.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.371 -0.831 . . . . 0.0 109.847 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -87.03 172.99 9.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.529 -0.732 . . . . 0.0 109.253 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.73 124.21 50.85 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.368 -0.832 . . . . 0.0 109.361 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.61 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 2.5 mm? -91.27 137.32 26.27 Favored Pre-proline 0 C--N 1.303 -1.445 0 O-C-N 121.379 -0.826 . . . . 0.0 108.934 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 N--CA 1.492 1.407 0 C-N-CA 122.135 1.89 . . . . 0.0 112.224 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.77 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.259 -0.901 . . . . 0.0 109.446 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.84 -32.12 71.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.2 -0.938 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.77 -37.7 82.72 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.174 -0.954 . . . . 0.0 109.223 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.19 98.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.0 109.251 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.82 72.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.925 . . . . 0.0 109.773 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -60.08 -42.28 94.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.29 -42.23 92.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.638 -0.664 . . . . 0.0 109.382 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.78 -47.16 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.377 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -40.6 80.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 108.913 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -62.72 -38.44 90.49 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.89 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.336 -0.853 . . . . 0.0 108.907 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.01 -32.9 73.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.398 -0.814 . . . . 0.0 109.641 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -60.77 -42.19 97.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.88 . . . . 0.0 109.914 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.05 -38.52 91.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 110.053 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.22 -38.85 88.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.014 -1.054 . . . . 0.0 109.238 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.8 -34.2 74.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.969 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.35 0.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 110.129 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.83 4.35 63.53 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.8 mt -99.62 33.49 2.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.085 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.83 8.21 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 75.0 mt -57.37 -42.95 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.033 -1.275 . . . . 0.0 109.009 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.49 -48.59 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.133 -0.979 . . . . 0.0 108.401 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.29 -32.57 81.28 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.684 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.3 t80 -58.54 -47.18 85.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -1.105 . . . . 0.0 109.7 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.532 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 34.6 m-85 -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 110.126 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.72 -41.1 98.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.106 -0.996 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.26 -40.19 93.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.997 . . . . 0.0 108.859 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.24 -39.89 89.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.403 -0.811 . . . . 0.0 109.244 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -64.36 -43.75 93.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.468 -0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.69 81.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.771 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.61 -50.78 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 109.613 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.58 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.9 mt-10 -67.03 -30.07 70.05 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.84 -43.63 94.51 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.02 -44.15 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.188 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.03 -35.74 81.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.573 -0.704 . . . . 0.0 109.731 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -67.79 -14.52 63.02 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.98 124.2 33.48 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.368 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.23 -35.66 80.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.235 -0.915 . . . . 0.0 109.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.58 125.71 33.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.976 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.483 ' NH1' ' OG1' ' A' ' 46' ' ' THR . 34.6 mtm105 -139.59 141.32 37.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.81 . . . . 0.0 109.594 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.8 p -114.26 162.58 16.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -53.61 -35.36 60.83 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.933 -1.104 . . . . 0.0 108.733 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.06 -43.36 71.36 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.345 -0.847 . . . . 0.0 110.024 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.5 mtp -70.01 -40.78 75.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.902 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' NH1' ' A' ' 41' ' ' ARG . 49.9 m -61.99 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.366 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.63 74.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.75 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.17 -39.34 92.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.73 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.15 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.14 -0.975 . . . . 0.0 109.437 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -62.15 -45.83 91.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.26 -38.16 76.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.66 -37.23 86.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 109.929 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.48 -39.4 79.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.06 -1.025 . . . . 0.0 109.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.01 -42.35 99.06 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.231 -0.918 . . . . 0.0 109.639 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 m -64.6 -45.47 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 0.0 110.136 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.28 -50.21 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.083 -1.011 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.66 -38.63 91.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.76 88.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.027 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -69.04 -48.86 61.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 64' ' ' GLY . 55.0 tttt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.413 -0.804 . . . . 0.0 109.422 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -63.02 -33.87 76.34 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.18 -31.47 69.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.561 -0.712 . . . . 0.0 109.155 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 71.5 mt -123.43 10.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.542 -0.724 . . . . 0.0 109.776 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.38 -37.9 56.42 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.99 65.27 Favored Glycine 0 N--CA 1.489 2.227 0 O-C-N 121.208 -1.172 . . . . 0.0 110.208 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.47 -37.03 82.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.965 -1.314 . . . . 0.0 109.051 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.85 -29.92 1.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -31.44 72.6 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.48 77.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.798 . . . . 0.0 109.262 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.77 -42.84 89.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 108.631 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -64.52 -38.8 92.27 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.4 t -160.94 98.1 1.18 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -95.77 7.27 46.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.228 -0.92 . . . . 0.0 109.596 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -95.89 -75.66 0.52 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.17 -0.957 . . . . 0.0 109.93 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -67.39 -40.4 85.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.412 -0.805 . . . . 0.0 111.382 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 tp -70.26 -36.63 74.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.609 -1.307 . . . . 0.0 109.857 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.7 t60 -60.34 -45.13 94.54 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.57 -41.57 92.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.161 -0.962 . . . . 0.0 108.51 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.457 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.5 ttt -58.21 -35.93 72.38 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.685 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.08 -32.39 70.91 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.685 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 27.7 m -56.93 -37.71 71.89 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.502 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 70.2 mt -60.21 -40.2 89.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.498 -0.751 . . . . 0.0 109.521 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.1 mt -85.96 -45.61 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.181 -0.95 . . . . 0.0 111.101 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 91.1 m-70 -72.01 -46.55 56.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 111.066 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -80.54 100.79 8.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.831 -1.168 . . . . 0.0 109.421 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.48 -37.46 87.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 0.0 110.387 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.55 -47.49 81.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 110.347 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.03 -41.77 90.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.11 -0.994 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.532 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.61 -37.56 87.79 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.322 -0.861 . . . . 0.0 108.768 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HE2' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.74 -45.3 66.95 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.465 -0.772 . . . . 0.0 109.63 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.75 -46.21 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.95 . . . . 0.0 109.712 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.12 -43.94 93.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.06 -1.025 . . . . 0.0 109.309 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tpt -62.73 -43.88 97.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -65.41 -42.94 92.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.49 HD21 ' N ' ' A' ' 95' ' ' ASN . 2.2 m120 -62.85 -40.61 98.0 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.409 -0.807 . . . . 0.0 109.097 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.09 -49.97 65.7 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.441 -0.787 . . . . 0.0 109.066 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.8 m -62.91 -44.27 96.54 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.389 -0.82 . . . . 0.0 109.083 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.3 mmm -62.1 -38.13 87.73 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 109.3 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -62.21 -46.57 88.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 109.104 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 55.1 tp -65.32 -43.44 91.0 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.99 -42.24 98.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.421 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.5 t-20 -61.78 -38.66 88.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.66 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.69 -42.86 99.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.0 109.876 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 32.0 mmtp -64.32 -45.11 89.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.5 -36.7 84.62 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 26.2 tttp -61.37 -46.37 90.47 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.84 -32.71 67.89 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 50.5 tttt -58.75 -40.66 84.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.765 -0.585 . . . . 0.0 110.113 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -169.34 -22.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.252 -0.905 . . . . 0.0 110.552 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.2 156.71 1.48 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.92 139.4 67.79 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.837 2.358 . . . . 0.0 112.704 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 167' ' ' GLY . 2.5 m-90 -106.17 135.58 47.39 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -153.87 173.23 16.19 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.912 -1.118 . . . . 0.0 110.636 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.42 -39.32 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.25 -42.53 77.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.631 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.9 tp -62.28 -36.95 83.68 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 108.975 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.557 ' HZ2' ' CG ' ' B' ' 182' ' ' ASP . 87.3 tttt -56.84 -47.57 80.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.494 -0.754 . . . . 0.0 110.055 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.857 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.568 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 5.2 t -63.23 -38.44 91.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.249 -0.907 . . . . 0.0 110.314 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.08 -39.33 89.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.911 -1.118 . . . . 0.0 109.069 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.461 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 54.0 m95 -61.64 -37.24 83.27 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.043 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -43.76 94.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.432 -0.793 . . . . 0.0 109.678 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.556 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 37.3 m -60.55 -39.51 88.2 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.714 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.01 -42.76 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.056 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.82 -41.13 99.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.271 -0.893 . . . . 0.0 110.325 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.48 -40.29 94.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.46 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -64.41 -43.81 93.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.071 -1.018 . . . . 0.0 110.269 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -61.08 -36.2 79.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.62 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -67.27 -44.52 79.11 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 109.687 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.602 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.1 mt -59.45 -41.93 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -0.973 . . . . 0.0 110.106 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.3 -44.94 74.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.088 -1.008 . . . . 0.0 110.257 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.58 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.2 t60 -70.31 -43.16 70.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.398 -0.814 . . . . 0.0 111.371 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.51 -33.63 71.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.121 -0.987 . . . . 0.0 111.722 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -142.53 63.31 1.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.695 -1.253 . . . . 0.0 111.002 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -63.28 -37.7 88.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.022 . . . . 0.0 109.488 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.18 -19.56 59.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 111.379 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.409 HD21 ' HE2' ' A' ' 90' ' ' LYS . 5.6 t30 -92.26 0.24 57.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.67 -1.269 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.7 mt -116.67 129.93 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.102 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.48 159.68 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 0.0 109.586 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.35 -40.38 95.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.27 -0.894 . . . . 0.0 109.597 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.87 -44.84 91.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.89 -37.93 88.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.381 -0.825 . . . . 0.0 109.304 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.6 m -61.26 -40.08 92.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 109.648 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.79 -42.89 85.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -62.55 -39.86 94.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.33 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.79 -41.22 97.98 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.43 -0.794 . . . . 0.0 109.775 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.89 -38.76 86.8 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -62.39 -40.69 97.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.018 . . . . 0.0 108.595 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.24 -43.49 98.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 108.818 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.81 -46.0 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 16.4 mmtt -61.1 -36.92 80.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -55.86 -44.28 77.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.23 -43.94 80.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.261 -0.899 . . . . 0.0 108.713 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -59.35 -44.1 92.73 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.531 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 90.7 mt -70.15 -49.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 120.967 -1.083 . . . . 0.0 110.663 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -66.21 -35.8 81.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.113 -0.992 . . . . 0.0 110.932 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.461 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 27.0 tp -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.462 ' N ' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.61 -39.93 73.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.281 -0.887 . . . . 0.0 109.507 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -60.48 -39.21 86.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 109.338 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.46 -36.47 76.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 108.494 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.47 -28.7 69.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.505 -0.747 . . . . 0.0 109.399 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.458 ' HZ1' ' CD ' ' B' ' 174' ' ' GLU . 44.6 mttm -80.77 -16.03 54.87 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.16 -0.962 . . . . 0.0 109.369 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.5 11.81 79.41 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.59 -29.81 61.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.538 -0.977 . . . . 0.0 109.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.32 131.81 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.164 -0.96 . . . . 0.0 108.758 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.46 ' C ' ' CE3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.069 0 CA-C-O 118.068 -1.406 . . . . 0.0 109.709 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.57 ' C ' ' H ' ' B' ' 130' ' ' ILE . 85.8 mt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.409 HD21 ' HD2' ' B' ' 132' ' ' LYS . 12.2 m120 -75.11 19.82 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.57 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.9 tt -64.14 -41.73 93.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.493 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 90.2 m-20 -75.13 -40.81 59.5 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.733 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 135' ' ' ASP . 80.5 mttt -66.15 -40.36 90.52 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.409 0.623 . . . . 0.0 110.027 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -47.37 79.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.263 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.451 ' OE1' ' CD1' ' A' ' 82' ' ' LEU . 13.4 mm100 -68.51 -35.41 77.45 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.606 -0.684 . . . . 0.0 110.099 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 136' ' ' MET . 51.2 p30 -155.1 -131.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.069 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.536 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 87.3 mtp -97.72 -168.91 1.75 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.872 . . . . 0.0 109.921 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -54.93 -27.75 45.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.449 -0.782 . . . . 0.0 109.541 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -50.04 149.14 2.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 109.801 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.37 166.34 12.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 67.2 mtm -57.18 -39.87 76.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.92 . . . . 0.0 109.483 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.44 -33.87 75.67 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.99 -38.29 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 108.877 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' B' ' 143' ' ' LEU . 9.8 mp -57.44 -34.14 68.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.41 ' CG1' ' ND2' ' A' ' 95' ' ' ASN . 62.4 mt -67.98 -30.39 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.84 -38.55 72.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.4 -35.85 74.74 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -32.69 82.07 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.66 -38.6 69.81 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.966 -1.314 . . . . 0.0 107.522 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 74.3 tt0 -60.55 -33.12 72.21 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.413 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.8 tt -54.24 -43.8 71.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -60.81 -40.15 91.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.433 ' C ' ' OE1' ' B' ' 152' ' ' GLU . 12.2 tm-20 -62.3 -40.0 94.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 0.0 109.601 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.85 -51.28 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.0 110.004 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.46 -32.54 73.46 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 108.99 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.18 86.78 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 0.0 108.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.8 mtp -63.32 -32.06 73.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.051 -1.031 . . . . 0.0 108.524 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.3 t-20 -77.53 3.61 13.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.513 -0.742 . . . . 0.0 109.299 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.7 t-20 85.59 101.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.73 -33.51 70.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.421 -0.799 . . . . 0.0 109.175 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' SER . . . . . 0.492 ' OG ' ' OD1' ' B' ' 158' ' ' ASN . 83.2 p -58.53 -19.05 34.34 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -57.01 102.22 0.2 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -100.84 153.33 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -1.152 . . . . 0.0 109.871 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 29.6 mt -52.87 -31.78 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.418 -0.801 . . . . 0.0 109.314 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -59.95 -23.59 63.69 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.318 -0.864 . . . . 0.0 109.941 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.66 -22.49 58.86 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.928 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.575 ' O ' ' N ' ' B' ' 168' ' ' ASP . 5.6 pt -107.97 138.64 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.218 -0.926 . . . . 0.0 109.346 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' B' ' 171' ' ' LEU . 69.7 m -57.79 76.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.5 t0 -61.39 -36.38 80.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.915 . . . . 0.0 110.304 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.36 80.77 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.094 -1.004 . . . . 0.0 111.33 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' A' ' 163' ' ' LYS . 66.3 tt0 -70.69 -44.37 67.11 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.847 -1.158 . . . . 0.0 109.546 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' B' ' 167' ' ' SER . 13.2 mt -61.23 -38.64 87.38 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.731 -0.606 . . . . 0.0 109.855 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.6 m-20 -66.47 -43.74 84.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.05 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.396 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.458 ' CD ' ' HZ1' ' A' ' 163' ' ' LYS . 98.1 mt-10 -66.1 -30.41 70.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.037 -1.04 . . . . 0.0 109.855 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -66.25 -43.79 85.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -63.02 -41.3 99.52 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.012 -1.055 . . . . 0.0 109.538 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.46 61.05 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.094 -1.003 . . . . 0.0 108.924 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 34.7 tp -63.75 -37.9 89.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.59 90.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 109.595 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.42 -35.94 76.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 4.1 tm-20 -67.67 -44.55 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.875 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.557 ' CG ' ' HZ2' ' A' ' 118' ' ' LYS . 28.4 m-20 -76.25 -35.39 58.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 110.195 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.47 173.3 10.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.266 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.71 123.21 49.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.455 -0.778 . . . . 0.0 109.158 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.616 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 2.7 mm? -91.04 137.36 26.57 Favored Pre-proline 0 C--N 1.302 -1.478 0 O-C-N 121.265 -0.897 . . . . 0.0 108.923 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 N--CA 1.491 1.361 0 C-N-CA 122.15 1.9 . . . . 0.0 112.193 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.58 78.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 0.0 109.516 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -60.34 -35.63 76.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.292 -0.88 . . . . 0.0 109.584 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -60.21 -38.07 82.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.43 92.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.16 95.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.905 . . . . 0.0 109.819 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 48.7 ttt-85 -59.79 -41.2 90.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.939 . . . . 0.0 109.118 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.61 -39.91 82.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.29 -46.96 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.256 -0.902 . . . . 0.0 109.011 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.54 80.14 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.525 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 91.5 m -61.57 -38.62 88.19 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.26 80.43 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.6 -31.89 71.98 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.8 -41.08 94.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.377 -0.827 . . . . 0.0 109.558 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -63.91 -38.88 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.375 -0.828 . . . . 0.0 109.751 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.2 -39.66 91.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.054 -1.029 . . . . 0.0 108.955 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.76 -32.39 71.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.446 -0.784 . . . . 0.0 109.457 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.95 -5.1 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.904 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.96 4.89 62.96 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.2 mt -95.65 60.99 2.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.978 -1.307 . . . . 0.0 109.28 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.54 85.3 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.8 mt -57.64 -43.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.321 . . . . 0.0 109.7 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.83 -49.68 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.64 81.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 88.5 t80 -58.71 -48.9 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.381 -1.07 . . . . 0.0 109.891 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 37.7 m-85 -67.31 -35.13 78.81 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.116 -0.99 . . . . 0.0 109.821 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.33 -40.85 96.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 110.166 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.45 -39.52 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.901 -1.124 . . . . 0.0 108.506 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.07 -38.79 91.94 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.656 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 65.2 t80 -64.52 -44.35 91.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.554 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.04 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 110.382 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.08 -47.9 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 0.0 110.286 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.5 mt-10 -64.29 -33.03 74.89 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.345 -0.847 . . . . 0.0 109.745 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.89 -46.94 87.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 109.876 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.43 HD12 HG22 ' A' ' 35' ' ' ILE . 82.3 mt -63.16 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.41 -0.806 . . . . 0.0 109.667 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.98 -34.43 77.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.353 -0.842 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 79.9 p -67.73 -16.5 64.17 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -78.68 125.8 29.86 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.668 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.93 -34.76 78.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.319 -0.863 . . . . 0.0 109.551 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -96.74 125.95 41.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.93 143.37 49.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.361 -0.837 . . . . 0.0 109.571 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.413 ' H ' ' HB2' ' A' ' 45' ' ' MET . 50.2 m -114.11 160.23 19.17 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.9 -34.92 57.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.924 -1.11 . . . . 0.0 108.475 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.89 -42.59 73.21 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.27 -0.894 . . . . 0.0 109.868 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.413 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -72.25 -42.78 65.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.82 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 m -63.5 -42.9 98.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.24 80.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.25 -41.21 98.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 109.624 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.47 87.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.162 -0.961 . . . . 0.0 109.333 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -61.79 -45.67 92.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.409 -0.807 . . . . 0.0 110.316 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.9 -38.76 73.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.0 -37.43 87.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.094 -1.004 . . . . 0.0 109.733 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.6 -39.96 81.89 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.062 . . . . 0.0 109.261 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.85 -43.0 99.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.269 -0.895 . . . . 0.0 109.188 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.0 m -66.72 -46.4 75.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.244 -0.91 . . . . 0.0 109.696 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mt -61.76 -49.44 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 0.0 109.387 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.1 -39.98 95.23 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.72 78.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.217 -0.927 . . . . 0.0 108.91 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.1 t80 -61.61 -47.24 86.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.464 -0.773 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' GLY . 33.3 tttt -62.81 -37.9 88.58 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.429 -0.794 . . . . 0.0 109.393 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.35 -34.99 78.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 0.0 109.238 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.27 -31.13 69.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.62 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 5.3 mt -122.82 9.48 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.457 -0.777 . . . . 0.0 109.957 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.29 -38.16 61.31 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.8 1.75 65.41 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.876 -1.367 . . . . 0.0 109.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.68 -28.63 1.4 Allowed 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.64 -30.97 71.76 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.97 83.0 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.422 -0.799 . . . . 0.0 109.277 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.64 -44.49 77.22 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.32 -39.23 92.16 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -159.97 97.05 1.26 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.59 7.55 46.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.639 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.7 -76.59 0.49 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 109.954 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.9 p -67.89 -39.43 83.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.381 -0.824 . . . . 0.0 111.43 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.08 -36.99 72.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.581 -1.324 . . . . 0.0 109.967 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 85.0 t60 -60.43 -45.16 94.63 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.2 -0.938 . . . . 0.0 109.639 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.89 -41.29 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.459 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.5 ttt -58.34 -35.86 72.55 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.07 -32.81 71.29 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.597 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.1 m -56.89 -37.02 70.79 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 67.6 mt -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 109.109 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -85.12 -45.85 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.178 -0.951 . . . . 0.0 110.976 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 92.3 m-70 -72.48 -47.34 49.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 111.055 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -83.6 99.87 10.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.905 -1.122 . . . . 0.0 109.899 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.9 mp0 -64.91 -35.73 82.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.426 -0.797 . . . . 0.0 110.426 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.89 -48.42 81.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.124 -0.985 . . . . 0.0 110.395 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -67.14 -40.49 86.75 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.768 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.418 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -62.22 -37.61 86.0 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -46.77 67.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.547 -0.72 . . . . 0.0 109.487 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.3 -47.3 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.64 -43.83 97.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.35 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.83 -43.75 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -65.16 -41.63 94.49 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.484 -0.76 . . . . 0.0 109.39 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.17 -49.32 67.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.294 -0.879 . . . . 0.0 108.958 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.1 m -61.72 -44.64 96.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.416 -0.803 . . . . 0.0 109.113 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.4 -39.72 94.16 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.25 -0.906 . . . . 0.0 109.234 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.6 m -63.88 -46.33 85.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.364 -0.835 . . . . 0.0 109.039 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.515 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 54.4 tp -66.19 -45.19 81.67 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -61.65 -43.42 98.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.569 -0.707 . . . . 0.0 109.415 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.3 t-20 -62.29 -37.9 87.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.335 -0.853 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -62.77 -42.62 99.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.495 ' HZ2' ' CB ' ' A' ' 120' ' ' SER . 51.8 mmtt -64.19 -44.93 90.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.031 -1.043 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 44.0 mt -66.01 -36.79 84.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 0.0 108.432 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.579 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.0 tttp -61.03 -46.15 91.9 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.77 -36.77 84.17 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.442 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.99 -32.92 68.35 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.8 tttt -59.08 -41.42 87.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.766 -0.584 . . . . 0.0 109.93 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.2 m-20 -166.97 -4.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -67.21 157.14 51.77 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.68 138.23 63.15 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.765 2.31 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -106.0 135.29 47.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.065 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -154.88 172.21 18.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.06 -1.025 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.66 -38.82 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.721 -0.612 . . . . 0.0 109.457 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.64 -42.75 79.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.071 -1.018 . . . . 0.0 108.992 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.51 -35.92 80.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.253 -0.904 . . . . 0.0 108.917 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' HZ3' ' CG ' ' B' ' 182' ' ' ASP . 85.2 tttt -57.23 -47.01 82.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 110.091 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -66.09 -40.57 90.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.395 -0.816 . . . . 0.0 109.894 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.495 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 9.0 m -61.94 -38.95 90.38 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.435 -0.791 . . . . 0.0 109.945 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.6 -42.65 99.18 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.119 -0.988 . . . . 0.0 109.21 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.476 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 47.1 m95 -62.65 -37.91 88.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 108.651 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.467 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.11 -40.1 94.06 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.66 -0.65 . . . . 0.0 109.46 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.515 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 63.2 m -63.86 -40.12 95.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.57 -42.15 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.895 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.78 -40.01 86.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 0.0 109.935 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.51 -40.08 95.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.427 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.79 -43.82 91.98 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.093 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -61.15 -36.61 80.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.73 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.656 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 84.2 m -65.08 -43.01 93.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.209 -0.932 . . . . 0.0 109.896 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 131' ' ' ILE . 97.2 mt -59.2 -43.92 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 110.087 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.69 -44.49 73.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.958 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.592 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.1 t60 -69.46 -45.67 68.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.505 -0.747 . . . . 0.0 110.983 -179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.472 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -136.69 60.06 1.67 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.849 -1.157 . . . . 0.0 110.757 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -62.8 -36.48 83.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.0 109.674 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.67 -23.72 59.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.364 -0.835 . . . . 0.0 111.473 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -92.35 0.09 57.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.666 -1.271 . . . . 0.0 110.145 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.03 125.96 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.506 -0.746 . . . . 0.0 109.187 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.467 ' O ' ' OG1' ' A' ' 144' ' ' THR . 49.7 m -71.14 159.59 34.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 109.725 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.61 -40.11 92.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.0 m -65.05 -46.3 81.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.913 . . . . 0.0 109.442 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.7 p -66.57 -31.97 73.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 0.0 108.911 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 140' ' ' SER . 47.1 m -62.35 -41.02 98.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.468 -0.77 . . . . 0.0 109.039 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.01 -37.97 78.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.482 -0.761 . . . . 0.0 109.318 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 t -61.46 -42.83 99.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 0.0 109.233 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.88 -41.49 91.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.367 -0.833 . . . . 0.0 109.527 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.42 -36.87 81.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -39.99 94.59 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.274 -0.891 . . . . 0.0 109.006 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -61.22 -42.39 98.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.0 109.189 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.96 -40.66 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.333 -0.854 . . . . 0.0 108.826 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.6 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.2 mmtt -61.09 -40.11 92.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.59 -0.694 . . . . 0.0 109.895 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.562 ' HH ' ' CD1' ' B' ' 154' ' ' LEU . 40.9 t80 -57.45 -43.66 84.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.96 -41.23 95.65 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -58.71 -43.87 90.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.425 -0.797 . . . . 0.0 109.649 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.47 -50.6 49.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.442 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.2 m-85 -66.99 -35.72 80.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 110.35 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.476 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 m -65.4 -45.37 84.26 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.492 -0.755 . . . . 0.0 109.207 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.66 -38.95 89.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.556 -0.715 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.82 -41.56 97.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.495 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.64 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.794 . . . . 0.0 109.69 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.3 mtpt -84.05 -3.97 58.43 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.332 -0.855 . . . . 0.0 109.824 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.72 12.2 84.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -74.99 -28.63 60.62 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.279 -1.13 . . . . 0.0 109.896 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.4 mm -106.52 132.92 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.0 109.234 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 CA-C-O 118.018 -1.434 . . . . 0.0 109.586 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.573 ' C ' ' H ' ' B' ' 130' ' ' ILE . 70.8 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -76.28 20.13 0.22 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.573 ' H ' ' C ' ' B' ' 128' ' ' ILE . 21.1 tt -63.45 -42.83 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.51 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.7 m-20 -75.13 -41.07 59.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.504 -0.878 . . . . 0.0 108.844 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -65.73 -41.09 92.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.533 0.683 . . . . 0.0 109.652 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.13 -47.42 80.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.462 -0.774 . . . . 0.0 109.646 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -71.25 -37.86 71.94 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.681 -0.637 . . . . 0.0 109.894 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.477 ' OD2' ' OD1' ' B' ' 138' ' ' ASP . 54.0 t0 -150.02 89.49 1.6 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 110.041 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.37 -30.02 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 109.679 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -55.56 -37.65 68.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 0.0 110.771 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' OD1' ' OD2' ' B' ' 135' ' ' ASP . 50.4 p30 -164.38 -160.36 0.53 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.787 -1.196 . . . . 0.0 110.628 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' B' ' 131' ' ' ASP . 75.7 mm-40 -101.7 164.87 11.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.457 -0.777 . . . . 0.0 109.92 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 89.3 mtp -57.94 -42.31 84.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.052 -1.03 . . . . 0.0 109.312 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.6 mm? -63.77 -36.48 84.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.158 -0.964 . . . . 0.0 108.773 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.183 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.8 -36.22 71.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.014 -1.054 . . . . 0.0 108.662 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.3 mt -68.49 -31.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.948 -1.095 . . . . 0.0 108.294 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.69 -37.88 77.03 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . 0.522 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.43 -35.5 74.15 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.32 -34.36 87.91 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.245 -1.942 . . . . 0.0 108.245 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -56.12 -38.86 71.35 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.965 -1.315 . . . . 0.0 107.814 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.579 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.54 -33.7 73.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.435 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.1 tt -54.99 -44.98 74.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.8 -40.54 95.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.173 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -62.5 -39.23 92.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.58 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 34.3 t -64.44 -50.63 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.889 . . . . 0.0 110.287 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.562 ' CD1' ' HH ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.83 -33.36 75.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.137 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.01 95.9 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.397 -0.814 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.0 mtp -64.62 -38.84 92.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.075 -1.016 . . . . 0.0 109.45 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.4 t-20 -60.87 -37.95 83.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.366 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.81 109.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.504 -0.748 . . . . 0.0 109.028 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.89 -35.12 70.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 46.9 p -82.61 1.97 35.58 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.62 97.94 0.06 OUTLIER Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -121.69 154.78 36.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.559 -0.965 . . . . 0.0 109.08 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.444 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.8 mp -54.48 -33.4 59.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.181 -0.95 . . . . 0.0 109.339 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.33 -33.02 70.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.325 -0.859 . . . . 0.0 109.575 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.4 -23.61 57.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.657 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 41.2 mt -101.77 134.79 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.202 -0.936 . . . . 0.0 108.92 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 20.5 t -60.09 69.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -64.56 -38.08 89.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 110.62 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.81 77.21 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.11 -0.994 . . . . 0.0 111.253 -178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -43.0 67.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.899 -1.126 . . . . 0.0 109.808 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.405 HD23 ' HZ2' ' A' ' 163' ' ' LYS . 83.2 mt -63.19 -38.28 90.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.527 -0.733 . . . . 0.0 110.184 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.6 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.8 m-20 -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.13 -0.981 . . . . 0.0 110.477 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.36 85.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.105 -0.997 . . . . 0.0 109.862 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -66.07 -37.35 85.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 110.119 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.62 -36.18 81.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.999 -1.063 . . . . 0.0 110.524 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.034 -1.041 . . . . 0.0 108.436 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.79 -41.55 71.5 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.1 -37.81 84.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.166 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.26 -42.44 77.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.106 -0.996 . . . . 0.0 109.136 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.02 -38.68 86.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.348 -0.845 . . . . 0.0 109.043 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.04 -43.14 79.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.408 -0.808 . . . . 0.0 109.333 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.579 ' CG ' ' HZ3' ' A' ' 118' ' ' LYS . 35.5 m-20 -73.2 -33.42 65.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.475 -0.765 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.41 173.59 8.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.52 -0.738 . . . . 0.0 109.223 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.57 123.32 49.23 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.438 -0.789 . . . . 0.0 109.146 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 2.7 mm? -91.06 138.04 26.18 Favored Pre-proline 0 C--N 1.302 -1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 108.932 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 N--CA 1.493 1.443 0 C-N-CA 122.156 1.904 . . . . 0.0 112.217 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.61 78.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.302 -0.874 . . . . 0.0 109.434 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -60.08 -36.03 76.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.44 -36.69 78.82 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.215 -0.928 . . . . 0.0 109.376 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.5 92.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.391 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.29 91.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.699 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttt85 -60.13 -42.68 95.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -42.14 92.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.22 -46.3 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 0.0 109.2 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.51 82.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 108.971 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -61.77 -38.56 88.49 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.99 82.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.1 -31.49 71.17 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.466 -0.771 . . . . 0.0 109.095 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.47 -40.24 90.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.407 -0.808 . . . . 0.0 109.116 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -63.72 -36.74 84.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.398 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.71 -41.78 95.9 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.111 -0.993 . . . . 0.0 108.801 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -60.1 -30.4 69.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG11 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.43 -10.64 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.469 -0.769 . . . . 0.0 109.666 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.14 4.75 62.75 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' H ' HG11 ' A' ' 18' ' ' VAL . 79.6 mt -96.94 60.33 1.73 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.236 . . . . 0.0 109.181 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.19 78.44 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -57.73 -43.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.299 . . . . 0.0 109.625 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.56 -49.72 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.952 -1.093 . . . . 0.0 108.68 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.87 -32.46 79.69 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.2 t80 -58.86 -48.46 81.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.404 -1.056 . . . . 0.0 109.832 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.7 m-85 -67.51 -36.25 80.69 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.107 -0.995 . . . . 0.0 110.207 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.51 -40.21 96.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.07 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.1 -39.91 90.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.462 -0.774 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -64.04 -45.7 87.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.816 . . . . 0.0 110.081 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.301 -0.874 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.04 -51.03 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.98 -1.075 . . . . 0.0 109.883 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.6 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -67.06 -30.31 70.33 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.24 -43.45 96.06 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 35' ' ' ILE . 86.5 mt -65.69 -46.36 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.355 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.83 -36.13 82.9 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.544 -0.723 . . . . 0.0 109.704 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.5 p -67.85 -14.61 63.1 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -89.43 124.93 34.92 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.357 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.37 -35.17 78.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -83.02 125.64 31.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.991 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -145.69 142.47 29.03 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.842 . . . . 0.0 109.587 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.3 t -114.17 158.41 21.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.83 -35.24 56.86 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.195 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.5 -42.24 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.399 -0.813 . . . . 0.0 109.54 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.5 tpt -69.69 -42.61 73.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.104 -0.997 . . . . 0.0 109.555 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.8 m -61.32 -41.7 97.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.469 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.95 77.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.756 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.25 -39.45 92.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.0 109.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.65 92.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.56 -45.97 91.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.409 -0.807 . . . . 0.0 110.411 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.39 -37.68 75.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.483 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.47 -37.07 85.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.831 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.48 -38.94 78.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -60.91 -41.07 95.42 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.248 -0.908 . . . . 0.0 109.038 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.4 m -66.88 -44.64 80.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.75 -51.2 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.95 -38.18 87.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.78 85.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.917 . . . . 0.0 109.078 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -68.04 -48.95 64.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.6 tttt -64.32 -39.8 94.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.127 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -62.87 -33.79 76.01 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.88 -31.17 68.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 76.1 mt -124.77 9.98 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.531 -0.73 . . . . 0.0 109.917 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.97 -37.23 44.39 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.25 0.91 65.06 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.07 -37.93 75.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.418 . . . . 0.0 108.691 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.92 -29.77 0.83 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.86 -31.27 72.4 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -60.05 -36.07 76.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.333 -0.855 . . . . 0.0 109.221 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -39.15 90.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.291 -0.881 . . . . 0.0 109.344 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -58.58 -40.86 84.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.471 -0.768 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.588 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -126.49 -62.93 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.528 -0.732 . . . . 0.0 109.073 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 68.03 -20.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.522 -0.736 . . . . 0.0 109.912 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.588 ' H ' ' C ' ' A' ' 72' ' ' SER . 24.3 mttm -91.05 -80.85 0.33 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.054 -1.029 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.9 p -68.1 -34.47 76.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.848 . . . . 0.0 110.548 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.5 tp -67.76 -37.29 81.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.748 -1.22 . . . . 0.0 109.667 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.0 t60 -60.43 -45.44 93.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.221 -0.925 . . . . 0.0 109.534 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -66.19 -41.22 88.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.226 -0.921 . . . . 0.0 108.723 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.436 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.2 ttt -58.54 -36.3 73.66 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.69 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.19 -32.83 71.45 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.69 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 30.8 m -57.02 -38.41 73.08 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.498 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 61.3 mt -60.51 -41.05 93.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.551 -0.718 . . . . 0.0 109.814 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 93.7 mt -84.63 -45.06 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.203 -0.936 . . . . 0.0 111.464 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.482 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 94.6 m-70 -74.22 -46.53 41.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 111.164 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.55 100.13 8.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.142 . . . . 0.0 109.573 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.38 -36.71 85.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' HG3' HD22 ' A' ' 138' ' ' ASN . 84.8 tt0 -62.74 -47.63 82.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.228 -0.92 . . . . 0.0 110.314 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -65.97 -41.63 90.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.139 -0.975 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.45 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.13 -38.01 89.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.372 -0.83 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -44.45 70.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 109.579 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.64 -41.23 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.247 -0.908 . . . . 0.0 109.778 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -65.42 -45.06 85.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.975 -1.078 . . . . 0.0 109.526 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.252 -0.905 . . . . 0.0 108.795 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -42.63 94.39 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.486 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.1 m120 -63.14 -41.44 99.29 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.285 -0.884 . . . . 0.0 109.139 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -65.66 -49.52 68.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.315 -0.866 . . . . 0.0 108.896 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.7 m -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.5 mmm -63.63 -39.39 94.22 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.296 -0.878 . . . . 0.0 109.242 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 27.7 m -63.52 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.396 -0.815 . . . . 0.0 109.166 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 60.0 tp -65.59 -44.99 84.91 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -60.63 -41.45 94.92 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.62 -0.675 . . . . 0.0 109.514 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.14 -39.0 88.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 110.16 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.2 -40.08 95.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 110.044 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.589 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 28.3 mmtt -64.74 -45.49 86.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 109.44 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.3 mt -67.64 -36.74 81.34 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.0 tttp -61.06 -46.31 91.19 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.8 mt-30 -63.61 -36.82 85.07 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 9.3 tp -58.15 -32.57 68.31 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.665 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 73.0 tttt -59.16 -41.63 88.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.778 -0.576 . . . . 0.0 109.87 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.6 m-20 -167.05 -5.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.235 -0.916 . . . . 0.0 111.094 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.62 157.28 50.52 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.27 137.91 63.5 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.78 2.32 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.4 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.07 135.66 47.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.428 -0.795 . . . . 0.0 109.019 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -155.27 173.11 17.09 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.056 -1.027 . . . . 0.0 110.385 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.62 -38.72 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.716 -0.615 . . . . 0.0 109.354 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.16 -42.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.892 -1.13 . . . . 0.0 108.773 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.0 tp -62.45 -36.15 81.51 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.298 -0.876 . . . . 0.0 108.98 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -57.15 -47.61 80.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.0 109.858 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.21 -39.08 86.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.462 -0.773 . . . . 0.0 109.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.589 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.9 t -61.99 -39.77 93.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 0.0 109.944 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.75 -40.1 93.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -0.975 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.467 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 52.7 m95 -61.95 -37.45 84.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.41 -0.807 . . . . 0.0 109.396 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.92 94.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.387 -0.821 . . . . 0.0 109.7 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.6 m -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.273 -0.892 . . . . 0.0 109.695 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.5 -42.02 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.865 . . . . 0.0 110.019 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.0 -41.19 97.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.0 110.136 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.03 -38.74 89.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.328 -0.858 . . . . 0.0 110.354 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -64.76 -43.02 94.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.041 -1.037 . . . . 0.0 110.41 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 86.5 p -65.08 -31.75 73.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.024 -1.047 . . . . 0.0 109.933 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -68.79 -42.86 76.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.607 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.22 -42.68 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.076 -1.015 . . . . 0.0 110.217 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.89 -44.99 79.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.6 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 18.9 t60 -70.13 -41.99 73.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 111.139 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.01 -33.35 71.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.191 -0.943 . . . . 0.0 111.588 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -143.08 61.88 1.4 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.275 . . . . 0.0 111.076 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -62.46 -38.48 89.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.007 -1.058 . . . . 0.0 109.153 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -69.11 -26.21 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.636 -0.665 . . . . 0.0 111.356 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.411 HD22 ' HG3' ' A' ' 87' ' ' GLU . 44.0 t30 -91.65 0.74 57.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.742 -1.224 . . . . 0.0 110.507 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.1 mt -117.57 127.33 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.131 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.63 159.99 33.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.214 -0.929 . . . . 0.0 109.492 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.19 -38.54 91.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.205 -0.934 . . . . 0.0 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.2 m -64.85 -45.04 87.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.17 -38.33 90.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.394 -0.816 . . . . 0.0 109.354 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.3 m -61.06 -39.95 91.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.451 -0.78 . . . . 0.0 109.545 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.84 -41.92 83.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -0.833 . . . . 0.0 109.69 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.81 -40.25 94.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.0 109.415 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.03 -41.34 95.33 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.348 -0.845 . . . . 0.0 109.684 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.02 -36.78 80.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.483 -0.761 . . . . 0.0 109.487 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.19 -40.6 96.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.96 . . . . 0.0 109.136 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.41 -42.25 98.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.24 -0.912 . . . . 0.0 109.02 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.8 mt -66.31 -43.21 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.326 -0.859 . . . . 0.0 108.808 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.585 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.7 mmtt -61.16 -39.93 91.98 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.575 -0.703 . . . . 0.0 109.68 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.28 -43.78 88.17 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -40.84 91.07 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -59.03 -44.1 91.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.535 -0.728 . . . . 0.0 109.401 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 156' ' ' ILE . 88.9 mt -69.6 -49.96 54.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.154 -0.966 . . . . 0.0 110.61 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.438 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 m-85 -66.41 -34.94 79.07 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.193 -0.942 . . . . 0.0 110.886 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.467 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 36.5 tp -59.2 -35.16 73.1 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.47 ' N ' HD23 ' B' ' 175' ' ' LEU . 2.3 t -66.01 -50.08 65.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.559 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -59.42 -38.55 80.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.633 -0.667 . . . . 0.0 109.704 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.48 -41.73 92.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.23 60.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.683 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -84.12 -3.7 58.28 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.268 -0.895 . . . . 0.0 109.741 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 12.66 84.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.95 -29.09 60.83 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -1.155 . . . . 0.0 109.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.3 mm -106.42 132.04 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.915 . . . . 0.0 109.188 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.62 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.62 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.62 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 2.8 m120 -74.88 19.96 0.13 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.561 ' H ' ' C ' ' B' ' 128' ' ' ILE . 19.6 tt -64.27 -41.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.494 ' O ' ' OD1' ' B' ' 135' ' ' ASP . 90.3 m-20 -75.75 -43.08 48.44 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 135' ' ' ASP . 81.2 mttt -63.93 -40.47 96.53 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.451 0.643 . . . . 0.0 109.738 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.58 -47.85 82.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.753 . . . . 0.0 110.167 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.4 HE22 HD22 ' A' ' 82' ' ' LEU . 51.6 mt-30 -74.08 -36.27 64.27 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.653 -0.654 . . . . 0.0 110.408 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' B' ' 136' ' ' MET . 47.0 p30 -152.03 -130.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.064 -1.022 . . . . 0.0 110.093 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.587 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 70.0 mtm -103.25 -179.24 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' B' ' 138' ' ' ASP . 61.4 tt0 -49.24 -25.43 2.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.458 -0.776 . . . . 0.0 109.966 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' B' ' 137' ' ' GLN . 88.9 m-20 -42.27 147.19 0.26 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 109.553 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -92.74 155.75 17.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 109.635 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.466 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 76.7 mtp -57.13 -44.45 83.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.108 -0.995 . . . . 0.0 109.368 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.42 -34.71 78.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.334 -0.853 . . . . 0.0 108.759 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.2 -35.94 76.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.95 -33.45 68.85 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.96 -30.8 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.135 -0.978 . . . . 0.0 108.85 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.64 -36.73 76.95 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.44 -35.76 74.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.28 83.84 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.075 -2.01 . . . . 0.0 108.075 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.83 -38.65 70.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.965 -1.315 . . . . 0.0 107.752 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.2 tt0 -60.37 -33.54 72.6 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.9 tt -54.57 -44.37 72.89 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.98 -40.22 92.6 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.358 -0.839 . . . . 0.0 109.252 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.28 -38.06 87.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.424 -0.798 . . . . 0.0 109.673 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.12 -50.31 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 110.347 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.5 -33.37 75.55 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.82 96.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.665 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.2 mtp -66.48 -39.47 88.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.144 -0.972 . . . . 0.0 109.641 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.91 -39.23 88.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.853 . . . . 0.0 109.506 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.662 ' N ' HD21 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 171.04 106.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.443 -0.786 . . . . 0.0 109.116 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.9 -36.38 72.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.115 -0.99 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.2 m -85.17 6.94 23.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.76 97.89 0.06 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -120.99 153.15 37.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.499 -1.001 . . . . 0.0 109.206 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.63 -33.59 64.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.171 -0.956 . . . . 0.0 109.367 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.22 -31.66 69.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.356 -0.84 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.15 -27.34 59.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 110.031 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.5 mt -98.76 133.25 41.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 108.883 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.5 m -60.14 69.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.378 -0.826 . . . . 0.0 110.194 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -62.89 -38.42 90.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.67 77.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.049 -1.032 . . . . 0.0 111.286 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.28 68.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.902 -1.124 . . . . 0.0 109.724 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.15 -37.59 88.0 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.589 -0.694 . . . . 0.0 109.797 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.585 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.9 m-20 -58.6 -41.15 85.16 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.114 -0.991 . . . . 0.0 110.494 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.21 80.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.994 -1.066 . . . . 0.0 110.072 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.4 -33.97 77.21 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.708 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -62.56 -41.73 99.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 110.553 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.35 -38.79 92.51 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.017 -1.052 . . . . 0.0 109.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.75 65.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 108.982 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.28 -33.27 75.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 109.513 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.86 -41.78 83.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.95 . . . . 0.0 108.711 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.44 -32.92 72.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.206 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -61.16 -40.87 95.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.422 -0.799 . . . . 0.0 110.371 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -93.53 -17.93 22.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.211 -0.93 . . . . 0.0 110.233 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.77 173.5 7.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.1 m -109.04 123.32 48.96 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.285 -0.884 . . . . 0.0 109.449 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' B' ' 186' ' ' PRO . 6.0 mp -91.24 142.35 27.08 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 185' ' ' LEU . 77.6 Cg_exo . . . . . 0 C--N 1.31 -1.494 0 C-N-CA 122.286 1.991 . . . . 0.0 112.223 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.539 ' H2 ' ' ND2' ' A' ' 4' ' ' ASN . 64.9 mtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.53 77.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -60.16 -36.08 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.323 -0.861 . . . . 0.0 109.518 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.539 ' ND2' ' H2 ' ' A' ' 1' ' ' MET . 87.5 m-20 -60.43 -36.91 79.3 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.115 -0.99 . . . . 0.0 109.461 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.82 94.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 0.0 109.423 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.08 95.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.06 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.4 t -60.86 -43.66 96.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.16 -46.25 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.884 . . . . 0.0 109.571 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.91 89.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.5 m -62.34 -40.62 96.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.31 86.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.137 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -60.99 -32.25 71.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.85 . . . . 0.0 109.262 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -60.92 -43.12 99.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -0.822 . . . . 0.0 109.558 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CE2' ' CG2' ' A' ' 23' ' ' ILE . 86.2 m-85 -64.5 -38.97 92.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -61.01 -42.62 98.81 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.115 -0.991 . . . . 0.0 108.725 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -61.45 -30.14 70.4 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.58 -11.95 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.6 -0.688 . . . . 0.0 109.699 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.33 5.04 63.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' H ' HG13 ' A' ' 18' ' ' VAL . 76.5 mt -96.09 70.22 2.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.296 . . . . 0.0 109.396 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -32.94 84.34 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.76 -43.32 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.026 -1.279 . . . . 0.0 109.915 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 35.1 mm -66.72 -46.26 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.747 -1.221 . . . . 0.0 108.579 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.61 -33.18 81.05 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 73.8 t80 -58.82 -49.78 76.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 45.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.091 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.03 -43.13 96.51 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.157 -0.964 . . . . 0.0 110.19 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.83 -38.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.928 -1.107 . . . . 0.0 108.401 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.8 tp -65.5 -39.34 91.76 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 32.5 t80 -63.77 -44.13 94.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.496 -0.753 . . . . 0.0 109.879 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.99 88.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.11 -48.07 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.116 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.3 mt-10 -64.04 -31.65 72.92 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.412 -0.805 . . . . 0.0 109.842 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.463 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 5.8 mp -61.02 -47.74 85.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.185 -0.947 . . . . 0.0 109.603 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.99 -45.93 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.295 -0.878 . . . . 0.0 109.309 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.68 -38.67 91.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 109.69 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -79.04 1.47 23.92 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.46 -0.775 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -98.28 127.12 44.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.339 -0.851 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.95 -35.68 80.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.96 125.72 39.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.215 -0.928 . . . . 0.0 110.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -139.72 120.15 14.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.827 . . . . 0.0 108.996 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 p -75.37 160.1 30.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.65 -35.09 65.57 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.958 -1.089 . . . . 0.0 108.656 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.87 -41.31 78.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.322 -0.861 . . . . 0.0 109.855 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.22 -38.42 78.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.022 -1.049 . . . . 0.0 110.021 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -58.15 -44.15 87.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.091 -1.006 . . . . 0.0 108.692 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.36 70.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.86 -39.74 92.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 109.613 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.56 85.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.101 -1.0 . . . . 0.0 109.554 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -62.93 -46.11 89.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.59 -40.68 92.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.74 -37.77 88.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.88 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.57 -40.55 83.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 110.002 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -39.66 88.98 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.243 -0.911 . . . . 0.0 109.321 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.8 m -61.65 -37.68 84.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.449 -0.782 . . . . 0.0 110.191 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 56' ' ' ILE . 25.2 mm -56.53 -51.5 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.276 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.3 -38.47 85.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.72 94.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 109.353 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 64.5 t80 -70.56 -49.05 52.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.353 -0.842 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.6 ' O ' ' N ' ' A' ' 64' ' ' GLY . 65.7 tttt -63.57 -40.75 97.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.302 -0.874 . . . . 0.0 109.355 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -63.13 -33.81 76.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 108.56 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.15 -31.2 68.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.597 -0.689 . . . . 0.0 109.178 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 66.1 mt -124.04 9.21 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.519 -0.738 . . . . 0.0 109.733 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.86 -37.4 69.73 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.5 62.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -37.87 72.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.326 . . . . 0.0 108.83 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -134.87 -30.12 1.1 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.21 -31.4 72.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.85 78.4 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.431 -0.793 . . . . 0.0 109.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -42.56 85.92 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.046 -1.034 . . . . 0.0 108.379 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.71 -39.13 90.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.4 t -160.55 96.57 1.16 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.1 p30 -97.32 8.72 44.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.11 -75.61 0.54 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.968 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -67.05 -38.7 86.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 111.101 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.35 -35.11 79.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.598 -1.314 . . . . 0.0 109.487 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -59.37 -45.13 92.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.18 -43.53 97.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.459 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 7.7 ttt -59.7 -36.55 76.75 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -57.39 -37.95 73.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.497 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 69.6 mt -59.84 -41.15 90.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.519 -0.738 . . . . 0.0 109.581 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -83.89 -45.19 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 111.623 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 42.3 m-70 -77.14 -47.08 21.34 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.047 . . . . 0.0 111.24 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -78.81 98.11 6.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.926 -1.109 . . . . 0.0 109.255 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.15 -36.34 83.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.232 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -47.38 84.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.166 -0.959 . . . . 0.0 110.335 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HZ3' ' CD1' ' B' ' 130' ' ' ILE . 61.1 tttm -65.93 -41.92 90.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.01 88.69 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.002 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -46.14 72.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 0.0 109.752 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.9 mt -64.48 -46.37 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.78 -43.55 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -42.24 99.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.803 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.84 -40.22 94.56 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.41 -0.807 . . . . 0.0 108.882 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.48 ' O ' ' OG ' ' A' ' 99' ' ' SER . 89.2 m-20 -63.31 -42.59 99.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.598 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.897 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.3 m -63.44 -45.83 89.1 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.336 -0.852 . . . . 0.0 108.868 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.28 -39.48 92.63 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.187 -0.946 . . . . 0.0 109.889 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 41.0 m -62.72 -46.74 86.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 0.0 109.489 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 39.7 tp -67.05 -43.26 83.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.189 -0.944 . . . . 0.0 108.469 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.563 -0.711 . . . . 0.0 109.553 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 51.5 t-20 -63.26 -41.42 99.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.58 -39.92 92.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.085 -1.01 . . . . 0.0 110.026 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -64.43 -41.98 96.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.08 -1.013 . . . . 0.0 109.475 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.06 -36.11 81.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.036 -1.04 . . . . 0.0 108.723 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.58 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.3 tttp -60.12 -42.28 94.42 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -36.76 81.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.4 tp -58.08 -32.94 68.54 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 31.1 tttt -59.33 -40.49 86.48 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.688 -0.632 . . . . 0.0 110.24 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.495 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.4 m-20 -168.77 -23.24 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.229 -0.919 . . . . 0.0 110.583 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -50.05 156.41 2.17 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.55 140.91 84.14 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.791 2.327 . . . . 0.0 112.488 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.463 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.8 m-90 -105.85 137.0 44.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 108.922 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -154.82 173.46 16.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.955 -1.091 . . . . 0.0 110.421 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.1 t -55.4 -38.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.55 -42.42 74.64 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.103 -0.998 . . . . 0.0 108.75 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.17 -38.35 88.72 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.304 -0.873 . . . . 0.0 109.016 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.576 ' HZ3' ' CG ' ' B' ' 182' ' ' ASP . 87.2 tttt -58.14 -47.57 82.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.509 -0.745 . . . . 0.0 110.074 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -68.28 -38.29 81.55 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.472 -0.768 . . . . 0.0 110.04 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.1 m -61.47 -40.66 95.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.266 -0.897 . . . . 0.0 110.434 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.28 -41.11 98.21 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.486 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.3 m95 -60.48 -39.05 86.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.386 -0.821 . . . . 0.0 109.07 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -42.51 90.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.385 -0.822 . . . . 0.0 109.415 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.2 m -60.93 -39.85 91.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.381 -0.824 . . . . 0.0 109.748 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.2 mt -57.79 -42.67 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -0.874 . . . . 0.0 109.944 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.16 -40.82 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.98 -38.91 90.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.865 . . . . 0.0 110.394 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.9 m -62.11 -35.36 78.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.764 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 82.1 m -63.38 -44.8 93.7 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 110.065 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.454 HG22 HD13 ' A' ' 131' ' ' ILE . 90.1 mt -58.97 -44.88 92.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.159 -0.963 . . . . 0.0 110.478 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.0 mt -67.1 -41.76 85.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.0 -1.062 . . . . 0.0 110.002 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.595 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 5.3 t60 -70.53 -45.74 64.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.388 -0.82 . . . . 0.0 110.571 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.76 -34.42 75.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.177 -0.952 . . . . 0.0 111.132 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -141.38 53.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.869 -1.144 . . . . 0.0 110.621 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -37.46 87.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.016 -1.053 . . . . 0.0 108.963 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.77 -26.09 66.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.506 -0.747 . . . . 0.0 110.597 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -91.5 1.14 57.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.29 129.78 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.109 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -70.6 159.9 33.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.205 -0.935 . . . . 0.0 109.498 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -39.5 94.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -0.904 . . . . 0.0 109.524 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.3 m -62.71 -45.0 94.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m -63.75 -38.91 92.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 0.0 109.379 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 42.6 m -61.76 -39.81 92.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.385 -0.822 . . . . 0.0 109.488 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.79 -41.14 81.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.345 -0.847 . . . . 0.0 109.613 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.6 t -61.88 -41.67 98.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.342 -0.849 . . . . 0.0 109.334 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 83.2 mt -64.65 -41.57 96.02 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.378 -0.826 . . . . 0.0 109.671 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.02 -36.5 79.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 20.7 tttp -61.77 -40.36 94.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -0.923 . . . . 0.0 109.082 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 150' ' ' ARG . 84.2 mtt-85 -62.34 -42.01 99.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.392 -0.818 . . . . 0.0 109.273 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.04 -42.73 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 108.938 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 5.8 mmtt -60.86 -41.16 95.37 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.634 -0.666 . . . . 0.0 109.841 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.566 ' OH ' ' CE2' ' A' ' 157' ' ' TYR . 53.1 t80 -57.08 -43.56 82.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.381 -0.824 . . . . 0.0 109.381 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.42 -42.2 96.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.197 -0.939 . . . . 0.0 109.09 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -58.75 -44.01 90.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.358 -0.839 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.89 -50.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.176 -0.953 . . . . 0.0 110.658 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.577 ' CZ ' ' NZ ' ' A' ' 160' ' ' LYS . 1.1 m-85 -67.09 -36.08 81.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.238 -0.913 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.486 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 32.2 tp -59.96 -36.29 76.79 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 m -65.67 -43.24 89.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.52 -0.738 . . . . 0.0 110.051 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.577 ' NZ ' ' CZ ' ' A' ' 157' ' ' TYR . 50.0 mtmt -59.69 -37.78 79.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.171 -0.956 . . . . 0.0 109.492 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.9 mt -58.89 -35.12 72.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.039 -1.038 . . . . 0.0 108.233 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.38 71.32 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.64 -0.663 . . . . 0.0 109.69 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -79.99 -15.99 56.09 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.055 -1.028 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.25 11.9 79.89 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.77 -28.66 60.84 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.475 -1.014 . . . . 0.0 110.039 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.93 131.32 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.011 . . . . 0.0 109.023 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.463 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.971 -1.461 . . . . 0.0 109.605 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.593 ' C ' ' H ' ' B' ' 130' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -75.4 19.64 0.17 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.593 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.8 tt -65.64 -43.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.482 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.1 m-20 -69.84 -41.72 74.55 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -69.95 -40.17 75.6 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.462 0.649 . . . . 0.0 110.366 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.65 -47.82 83.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.735 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.501 ' OE1' ' O ' ' B' ' 130' ' ' ILE . 0.2 OUTLIER -68.85 -38.29 79.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.469 -0.769 . . . . 0.0 110.211 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 53.0 p30 -166.09 160.5 16.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.997 -1.064 . . . . 0.0 110.159 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.471 -0.768 . . . . 0.0 109.666 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -46.58 150.93 0.62 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.227 -0.921 . . . . 0.0 109.648 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 139' ' ' GLU . 54.6 p30 -85.05 -125.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.403 -0.81 . . . . 0.0 110.344 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.584 ' N ' ' OD1' ' B' ' 138' ' ' ASP . 96.0 mt-10 -56.09 142.83 35.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.373 -0.83 . . . . 0.0 110.47 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.63 -36.32 78.34 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.632 0.73 . . . . 0.0 109.668 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -56.5 -33.67 66.22 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.843 -1.161 . . . . 0.0 108.36 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.86 -36.22 76.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.422 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.404 HD22 ' H ' ' B' ' 143' ' ' LEU . 4.4 mm? -58.89 -35.98 73.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 108.909 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.98 -31.24 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 119.196 -1.002 . . . . 0.0 108.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.7 -38.78 75.81 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 27.1 mt-30 -59.65 -36.18 75.89 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.62 -33.21 84.2 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.8 -39.35 73.97 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.273 . . . . 0.0 108.191 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.58 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.0 tt0 -60.78 -34.25 74.21 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.7 tt -55.3 -43.48 74.85 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.23 -40.17 89.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.295 -0.878 . . . . 0.0 108.849 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 9.4 tm-20 -62.32 -37.9 87.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 39.0 t -64.3 -50.6 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 110.445 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.3 -33.26 75.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.264 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.84 97.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.333 -0.854 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.3 mtp -65.11 -40.7 94.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 109.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.82 -42.93 98.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 19.8 t-20 -177.49 107.42 0.06 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -57.25 -36.25 70.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.112 -0.993 . . . . 0.0 108.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -85.41 6.53 26.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.93 97.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.9 tp10 -124.28 152.63 42.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.507 -0.996 . . . . 0.0 108.939 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.29 -34.12 63.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 109.507 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.17 -33.77 71.32 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.32 -0.862 . . . . 0.0 109.34 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.76 -21.04 57.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -101.2 132.11 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.257 -0.902 . . . . 0.0 108.94 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.6 m -59.6 70.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.209 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 54.1 t0 -62.98 -36.61 84.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.84 77.2 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.168 -0.957 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -42.55 68.89 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.736 -1.228 . . . . 0.0 109.763 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.19 -38.52 91.48 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.448 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 93.2 m-20 -61.1 -42.68 98.96 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.168 -0.958 . . . . 0.0 110.426 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.92 86.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.995 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.53 -37.06 84.19 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 110.281 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 18.9 tp -67.81 -35.09 78.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.921 -1.112 . . . . 0.0 110.495 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.0 m-20 -62.23 -40.64 96.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.943 -1.098 . . . . 0.0 109.347 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.68 67.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.07 -1.019 . . . . 0.0 108.476 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 31.5 tp -64.73 -38.53 91.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 109.82 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.64 77.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.698 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.71 -36.34 80.63 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.2 -0.938 . . . . 0.0 109.257 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.39 -47.19 74.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 110.31 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.576 ' CG ' ' HZ3' ' A' ' 118' ' ' LYS . 27.9 m-20 -70.48 -37.86 74.3 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -80.43 172.88 13.19 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.582 -0.699 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.26 120.97 44.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.323 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 0.2 OUTLIER -91.14 142.05 26.92 Favored Pre-proline 0 C--N 1.301 -1.504 0 C-N-CA 119.378 -0.929 . . . . 0.0 108.863 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo . . . . . 0 C--N 1.307 -1.641 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.58 78.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.351 -0.843 . . . . 0.0 109.578 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.506 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 86.4 p -60.76 -32.87 72.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.0 109.259 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' ' HG ' ' A' ' 3' ' ' SER . 38.1 t30 -60.53 -37.94 82.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 0.0 109.148 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.48 92.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 109.418 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.37 97.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.89 -41.65 92.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.95 -40.03 84.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.232 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.74 -47.57 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -0.917 . . . . 0.0 109.146 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.8 78.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.883 . . . . 0.0 108.675 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.8 m -61.56 -38.4 87.36 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.45 81.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.271 -0.893 . . . . 0.0 108.597 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -60.8 -31.51 70.89 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.441 -0.787 . . . . 0.0 109.016 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.61 -40.51 92.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.419 -0.801 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -63.76 -37.71 88.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.459 -0.776 . . . . 0.0 109.632 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.92 -41.57 96.42 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.09 -1.007 . . . . 0.0 109.021 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.23 -30.83 69.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.447 -0.783 . . . . 0.0 109.191 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.53 -8.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.335 -0.853 . . . . 0.0 109.79 -179.464 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.06 5.16 62.61 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.004 -1.093 . . . . 0.0 110.453 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' H ' HG13 ' A' ' 18' ' ' VAL . 69.8 mt -96.33 63.52 2.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.381 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -32.85 80.55 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.72 -43.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.979 -1.307 . . . . 0.0 109.757 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -67.33 -48.4 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.058 -1.026 . . . . 0.0 108.824 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.56 80.32 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.2 t80 -58.66 -49.39 77.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -1.093 . . . . 0.0 109.942 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 44.7 m-85 -67.25 -36.2 81.14 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.943 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.83 -41.87 97.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 0.0 110.156 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.03 -40.62 94.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.956 -1.09 . . . . 0.0 108.65 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.65 -38.54 89.63 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.584 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 66.2 t80 -63.38 -43.73 96.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.552 -0.717 . . . . 0.0 110.469 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.79 92.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.147 -0.971 . . . . 0.0 110.24 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.36 -47.3 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 110.228 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -63.9 -31.57 72.8 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.377 -0.827 . . . . 0.0 109.931 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 34' ' ' LEU . 6.4 mp -60.94 -46.85 89.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.84 -47.04 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 109.381 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.19 -37.24 86.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.461 -0.774 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -68.17 -14.46 63.0 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.54 127.33 36.94 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.399 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -35.92 81.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -91.99 125.92 36.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.884 . . . . 0.0 110.026 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -132.05 142.53 49.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.386 -0.821 . . . . 0.0 109.387 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -109.49 157.37 19.05 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -52.13 -34.55 44.95 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.964 -1.085 . . . . 0.0 108.305 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.52 -42.8 82.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.376 -0.827 . . . . 0.0 110.02 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.4 mmm -75.36 -42.38 54.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.883 -1.136 . . . . 0.0 109.637 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.0 m -61.91 -44.95 95.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 109.54 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.55 77.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.75 -40.57 97.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.825 . . . . 0.0 109.689 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.71 92.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 0.0 109.656 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -60.02 -45.95 91.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.363 -0.836 . . . . 0.0 110.504 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.44 -38.0 79.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.643 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.73 -36.7 85.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.08 -40.02 80.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.05 -40.86 97.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.242 -0.911 . . . . 0.0 109.131 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 m -65.96 -44.16 85.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 110.036 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.75 -51.38 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.977 . . . . 0.0 109.43 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.87 -39.64 93.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.66 88.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.105 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.8 t80 -67.72 -48.8 65.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.369 -0.832 . . . . 0.0 109.729 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.0 tttt -63.84 -40.42 96.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.836 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.11 -33.78 76.18 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -59.05 -31.39 68.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.094 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -123.44 10.04 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.804 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.52 -37.75 61.41 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.64 3.6 64.38 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.31 -37.09 81.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.906 -1.349 . . . . 0.0 109.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.13 -29.44 1.11 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.1 -30.55 71.68 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.41 -0.807 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -43.7 80.32 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.176 -0.953 . . . . 0.0 108.451 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.27 -39.08 92.14 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 72' ' ' SER . 13.2 p -161.03 97.08 1.13 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -97.71 7.32 46.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 109.665 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -95.32 -75.92 0.51 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 110.117 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.7 p -67.37 -38.88 85.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 111.247 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.2 tp -67.93 -34.84 77.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.516 -1.365 . . . . 0.0 109.739 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.2 t60 -59.8 -45.13 93.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.172 -0.955 . . . . 0.0 109.596 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.62 -42.56 95.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.295 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.466 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.7 ttt -58.28 -36.09 72.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.34 -32.55 71.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.582 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.2 m -56.93 -37.6 71.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 65.0 mt -60.36 -40.36 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.55 -0.719 . . . . 0.0 109.54 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.88 -45.21 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.255 -0.903 . . . . 0.0 111.413 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.596 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.7 m-70 -74.37 -48.13 29.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.901 . . . . 0.0 111.069 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.73 98.46 9.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.0 mp0 -64.49 -35.12 79.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.931 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -47.7 85.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.171 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -67.07 -41.86 85.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.039 -1.038 . . . . 0.0 108.95 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.46 -37.82 87.39 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -45.75 70.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.583 -0.698 . . . . 0.0 109.376 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.32 -45.69 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.542 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.38 -44.61 96.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.43 -42.95 99.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.88 -39.7 94.79 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.29 -44.1 97.3 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.586 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -48.27 71.09 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 59.3 m -62.27 -44.4 96.62 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.489 -0.757 . . . . 0.0 109.398 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.98 -39.62 94.54 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.183 -0.948 . . . . 0.0 109.716 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -63.25 -46.49 86.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.88 -46.75 77.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.929 . . . . 0.0 108.962 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -63.27 -38.63 91.93 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.497 -0.752 . . . . 0.0 109.754 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.3 -38.73 80.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.27 -39.52 92.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 0.0 109.777 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 25.2 mmtt -63.09 -45.63 91.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.142 -0.974 . . . . 0.0 109.583 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.2 mt -68.04 -36.74 80.4 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.192 -0.942 . . . . 0.0 108.505 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 27.2 tttp -60.83 -45.85 92.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.7 mt-30 -63.07 -36.79 84.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.441 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 7.9 tp -58.34 -33.0 69.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.507 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 61.2 tttt -59.09 -40.77 86.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.71 -0.619 . . . . 0.0 109.975 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.2 m-20 -168.48 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.216 -0.928 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -63.34 157.82 39.97 Favored Glycine 0 N--CA 1.494 2.548 0 O-C-N 120.652 -1.28 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.82 138.69 70.26 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.893 2.395 . . . . 0.0 112.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.401 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.4 m-90 -106.15 136.06 46.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.357 -0.839 . . . . 0.0 109.069 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -156.11 172.63 18.1 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.042 -1.037 . . . . 0.0 110.335 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -55.69 -38.31 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.698 -0.626 . . . . 0.0 109.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.4 ttp -54.83 -42.42 71.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.838 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 tp -62.54 -35.73 80.36 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.28 -0.887 . . . . 0.0 108.984 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.01 -47.41 83.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 110.021 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -67.81 -39.52 83.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 109.895 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.594 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 7.6 t -62.78 -40.01 95.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 109.812 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.227 -0.921 . . . . 0.0 109.584 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.476 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 44.2 m95 -61.24 -37.44 83.08 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.214 -0.929 . . . . 0.0 109.076 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -40.19 88.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.358 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.01 -39.58 95.2 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.858 . . . . 0.0 109.638 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.5 mt -58.2 -42.36 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.905 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.84 -40.53 93.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.53 -39.68 94.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 110.349 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.59 -42.92 91.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 110.301 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.7 p -63.74 -32.56 74.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.046 -1.034 . . . . 0.0 109.797 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 91.2 m -69.08 -43.03 75.39 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.91 -44.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.192 -0.943 . . . . 0.0 110.076 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.84 -44.78 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.016 -1.052 . . . . 0.0 109.912 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.584 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.6 t60 -68.39 -43.75 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.541 -0.724 . . . . 0.0 111.022 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.87 -33.13 72.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.228 -0.92 . . . . 0.0 111.565 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -140.4 60.23 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.78 -1.2 . . . . 0.0 110.944 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -62.01 -38.22 87.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.907 -1.121 . . . . 0.0 109.206 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.21 -27.13 66.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.493 -0.754 . . . . 0.0 111.144 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -91.64 1.52 57.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.75 -1.219 . . . . 0.0 110.389 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.3 mt -118.35 125.97 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.254 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m -70.93 159.93 33.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.351 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -64.85 -38.5 91.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 109.512 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.4 m -65.03 -45.42 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.1 p -65.75 -33.83 76.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -0.85 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 50.6 m -63.33 -40.77 98.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 109.296 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -58.0 -39.41 78.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.368 -0.832 . . . . 0.0 109.592 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -61.9 -41.78 98.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.282 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.19 -41.06 86.49 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.721 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.89 -36.58 79.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.401 -0.812 . . . . 0.0 109.394 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -61.63 -40.79 96.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.166 -0.958 . . . . 0.0 108.959 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.562 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 87.3 mtt-85 -62.27 -42.61 99.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 108.988 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 80.3 mt -65.35 -44.78 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.413 -0.805 . . . . 0.0 108.878 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.592 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 8.0 mmtt -61.21 -40.34 93.61 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.596 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 49.5 t80 -57.69 -43.31 85.02 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 2.8 m -64.36 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.338 -0.851 . . . . 0.0 108.924 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.81 -43.99 90.71 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.442 -0.786 . . . . 0.0 109.779 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 156' ' ' ILE . 85.4 mt -69.87 -50.36 49.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.234 -0.916 . . . . 0.0 110.661 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.596 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 1.7 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.148 -0.97 . . . . 0.0 110.498 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.476 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -59.84 -38.53 82.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.139 -0.976 . . . . 0.0 108.485 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.1 t -67.18 -45.32 77.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.363 -0.836 . . . . 0.0 109.593 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.72 -37.79 82.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.527 -0.733 . . . . 0.0 109.531 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.27 -42.1 96.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.735 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.07 -24.31 61.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.378 -0.826 . . . . 0.0 109.669 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.592 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 14.3 mtpt -83.65 -4.48 58.62 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.344 -0.848 . . . . 0.0 109.788 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.25 11.77 85.0 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.97 -29.05 60.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.191 -1.182 . . . . 0.0 109.831 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 166' ' ' ILE . 21.8 mm -107.15 132.15 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.075 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 CA-C-O 118.041 -1.422 . . . . 0.0 109.553 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.633 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.633 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 11.9 m120 -75.28 19.71 0.16 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.596 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.4 tt -63.43 -43.71 98.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.512 ' O ' ' O ' ' B' ' 135' ' ' ASP . 90.1 m-20 -75.87 -42.32 49.68 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.742 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.402 ' HD2' HD21 ' B' ' 129' ' ' ASN . 56.6 mttm -63.4 -39.32 94.18 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.381 0.61 . . . . 0.0 109.894 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 tp -58.15 -47.95 81.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 109.581 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.49 -39.9 62.15 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.723 -0.61 . . . . 0.0 110.087 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.512 ' O ' ' O ' ' B' ' 131' ' ' ASP . 49.7 t0 -173.14 165.52 4.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 0.0 109.501 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.441 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 88.0 mtp -83.38 94.62 8.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.238 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -133.05 154.46 50.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 109.585 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.14 -71.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.632 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -135.19 154.74 51.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.713 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.65 -38.98 82.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 0.0 109.047 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -60.58 -33.18 72.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 108.463 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.07 -36.45 75.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 3.0 mm? -58.98 -38.26 78.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 46.7 mt -68.54 -32.17 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.53 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.67 -38.1 71.74 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.26 -36.35 75.34 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.26 81.05 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.82 -39.61 71.63 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.884 -1.362 . . . . 0.0 107.885 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 72.0 tt0 -61.53 -33.48 73.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.75 -44.5 73.68 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.88 -39.83 93.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.25 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 1.5 tm-20 -61.82 -39.39 91.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.447 -0.783 . . . . 0.0 109.835 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.54 -50.36 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.027 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.86 -34.48 77.89 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.155 -0.965 . . . . 0.0 109.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . 0.54 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -66.38 -43.36 86.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.215 -0.928 . . . . 0.0 109.753 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.56 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 53.3 mtt -68.37 -39.94 81.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.0 109.916 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.93 -42.4 98.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.406 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 16.4 t-20 -176.16 102.75 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 24.7 m120 -57.87 -35.72 71.36 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.099 -1.0 . . . . 0.0 109.122 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 42.7 p -84.4 3.96 33.66 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . 0.586 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.77 97.79 0.06 OUTLIER Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -125.03 151.97 44.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.608 -0.936 . . . . 0.0 109.138 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.31 -35.25 67.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.14 -0.975 . . . . 0.0 109.552 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.9 -20.64 57.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.636 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.2 mt -102.93 132.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.229 -0.92 . . . . 0.0 108.933 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 70.8 m -59.02 71.76 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.444 -0.785 . . . . 0.0 110.251 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.5 t0 -65.4 -38.88 91.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.89 76.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.045 -1.035 . . . . 0.0 111.457 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.31 -43.11 67.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.873 -1.142 . . . . 0.0 109.812 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.21 -38.04 89.59 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.57 -0.706 . . . . 0.0 110.231 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.592 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.4 m-20 -60.32 -43.11 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.125 -0.984 . . . . 0.0 110.545 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.44 79.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.091 -1.006 . . . . 0.0 109.878 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.592 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 95.3 mt-10 -64.66 -36.33 83.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.39 -35.57 80.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.918 -1.114 . . . . 0.0 110.585 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.5 m-20 -61.38 -36.99 81.78 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.948 -1.095 . . . . 0.0 108.349 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.34 -43.26 70.61 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.01 -35.39 80.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.391 -0.818 . . . . 0.0 109.69 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -55.59 -40.02 71.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.987 -1.071 . . . . 0.0 108.261 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.68 -33.88 74.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.569 -0.707 . . . . 0.0 109.113 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.65 -40.93 96.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.768 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -93.53 -17.59 23.2 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.045 -1.034 . . . . 0.0 110.821 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.9 170.11 9.18 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.08 -1.013 . . . . 0.0 109.513 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.34 120.72 43.36 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.237 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.632 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 2.5 mm? -91.77 137.68 25.38 Favored Pre-proline 0 C--N 1.299 -1.601 0 O-C-N 121.391 -0.818 . . . . 0.0 109.015 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.493 1.441 0 C-N-CA 122.131 1.887 . . . . 0.0 112.173 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.585 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 69.7 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.48 77.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.877 . . . . 0.0 109.428 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.9 -31.85 71.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 1' ' ' MET . 87.1 m-20 -60.82 -38.66 86.19 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.24 -0.913 . . . . 0.0 109.278 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.71 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.162 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.58 90.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.22 -0.925 . . . . 0.0 108.912 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.8 -46.29 89.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.381 -0.824 . . . . 0.0 108.876 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.79 -39.99 85.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.46 -45.88 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.75 81.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 108.89 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -62.49 -38.82 91.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.462 -0.774 . . . . 0.0 109.214 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.23 91.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.115 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -60.84 -31.69 71.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.354 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -60.67 -41.79 95.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 0.0 109.326 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -64.02 -39.16 93.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.311 -0.868 . . . . 0.0 109.785 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.13 -39.74 91.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.026 -1.046 . . . . 0.0 108.984 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -61.02 -31.81 71.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.473 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG11 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.56 -9.48 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.912 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 7.98 61.22 Favored Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.941 -1.123 . . . . 0.0 110.548 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' H ' HG11 ' A' ' 18' ' ' VAL . 38.6 mt -95.8 65.99 2.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.332 . . . . 0.0 109.383 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.35 -33.86 86.12 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.84 -43.62 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.025 -1.28 . . . . 0.0 109.607 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.3 mm -68.24 -47.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.053 -1.029 . . . . 0.0 108.825 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.62 -32.42 78.38 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.1 t80 -58.55 -48.52 80.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.389 -1.065 . . . . 0.0 109.991 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 33.0 m-85 -67.19 -36.31 81.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.161 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.59 -41.36 98.36 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.035 -1.041 . . . . 0.0 109.949 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.35 -39.68 93.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.064 -1.022 . . . . 0.0 109.109 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.25 -39.55 94.19 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.4 -0.812 . . . . 0.0 109.116 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.473 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 19.5 t80 -63.21 -42.54 99.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.458 -0.776 . . . . 0.0 110.192 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.73 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.241 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.41 -46.34 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.124 -0.985 . . . . 0.0 110.446 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.61 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.056 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -60.63 -47.74 84.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.126 -0.984 . . . . 0.0 109.603 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.26 -43.86 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.34 -33.35 75.52 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.491 -0.756 . . . . 0.0 110.154 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.0 p -67.11 -16.71 64.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -89.26 122.25 32.33 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.563 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.52 -35.54 80.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 109.691 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -86.02 125.72 33.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.96 142.71 44.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.363 -0.835 . . . . 0.0 109.633 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.7 m -114.11 159.77 19.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.39 54.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.828 -1.17 . . . . 0.0 108.487 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.63 -44.94 66.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.824 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.3 mtp -68.98 -40.8 78.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.896 -1.128 . . . . 0.0 109.82 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.4 m -62.4 -41.98 99.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.326 -0.859 . . . . 0.0 109.671 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.23 86.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 109.77 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.48 -42.29 99.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 0.0 109.509 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.95 84.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.436 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.03 -45.78 91.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.31 -38.43 74.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.597 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.74 -37.17 86.7 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.871 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.85 -39.46 81.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.994 -1.066 . . . . 0.0 109.206 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -61.69 -42.22 98.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.31 -0.869 . . . . 0.0 109.227 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.4 m -64.88 -43.05 94.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.885 . . . . 0.0 109.684 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.48 -51.11 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.16 -38.01 87.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.27 -0.894 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.05 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.152 -0.967 . . . . 0.0 109.058 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.98 -48.83 56.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.548 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 64' ' ' GLY . 56.9 tttt -64.01 -39.49 94.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.391 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.9 -34.01 76.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.93 . . . . 0.0 108.586 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.22 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 74.5 mt -123.77 13.38 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.664 -0.648 . . . . 0.0 109.749 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.96 -33.43 13.46 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.26 17.73 45.39 Favored Glycine 0 N--CA 1.489 2.174 0 O-C-N 121.202 -1.175 . . . . 0.0 110.527 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.12 -88.41 0.16 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.9 -1.353 . . . . 0.0 108.557 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.7 m -68.93 -34.02 74.69 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.93 -31.25 72.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.627 -0.67 . . . . 0.0 109.364 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.02 -37.94 75.27 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.203 -0.936 . . . . 0.0 108.86 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.03 -42.35 98.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -68.84 -40.26 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.539 -0.725 . . . . 0.0 109.191 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 t -165.83 98.97 0.66 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -100.37 7.88 44.01 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.299 -0.875 . . . . 0.0 109.462 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -95.93 -76.65 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.197 -0.94 . . . . 0.0 110.08 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -67.5 -39.33 85.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.34 -0.85 . . . . 0.0 111.259 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.0 tp -69.1 -34.91 75.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.663 -1.273 . . . . 0.0 109.909 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.583 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -59.81 -45.07 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.191 -0.943 . . . . 0.0 109.55 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -62.81 -41.0 90.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.451 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.9 ttt -58.41 -36.07 73.01 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.04 -32.74 71.19 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 178.609 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -56.61 -37.46 70.72 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.502 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 57.4 mt -60.58 -41.32 94.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.4 mt -85.56 -45.33 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.145 -0.972 . . . . 0.0 111.265 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.9 m-70 -72.33 -46.14 56.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 111.131 -178.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -82.37 101.45 10.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.885 -1.135 . . . . 0.0 109.583 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -36.72 85.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' HG3' HD22 ' A' ' 138' ' ' ASN . 85.0 tt0 -62.82 -47.66 82.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.2 -0.937 . . . . 0.0 110.41 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -65.87 -41.89 91.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.116 -0.99 . . . . 0.0 109.389 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.489 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.48 -37.76 88.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.0 108.759 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -44.83 67.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.426 -0.796 . . . . 0.0 109.592 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.98 -42.76 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.99 -43.93 90.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.058 -1.026 . . . . 0.0 109.598 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.58 -41.72 99.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.006 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.37 -42.71 98.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.451 -0.781 . . . . 0.0 109.061 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' B' ' 140' ' ' MET . 94.2 m-20 -63.36 -40.5 97.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.237 -0.915 . . . . 0.0 109.341 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -65.09 -49.75 68.77 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.007 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 72.9 m -63.46 -45.12 92.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.0 108.961 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.0 mmm -62.69 -39.36 93.76 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 109.352 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -63.32 -46.74 85.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.309 -0.869 . . . . 0.0 109.075 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.04 -45.03 78.68 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -61.19 -43.36 99.01 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.581 -0.7 . . . . 0.0 109.351 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.84 -37.73 85.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 0.0 109.796 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.25 -41.93 98.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 110.115 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -64.67 -45.33 87.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 109.458 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.8 mt -65.19 -36.86 85.52 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.184 -0.947 . . . . 0.0 108.547 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.9 tttp -61.62 -46.23 90.72 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -63.38 -36.72 84.65 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.408 ' HA ' ' HE1' ' A' ' 113' ' ' TRP . 6.4 tp -57.94 -32.91 68.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.3 tttt -58.83 -39.51 81.45 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.726 -0.609 . . . . 0.0 110.046 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.0 m-20 -167.49 -18.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.278 -0.889 . . . . 0.0 110.632 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -54.17 155.34 7.55 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.49 140.22 74.69 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.778 2.319 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.473 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.2 m-90 -106.09 135.8 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -155.52 172.57 18.03 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.01 -1.056 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.48 -39.01 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.85 -42.69 80.14 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.069 -1.02 . . . . 0.0 108.778 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.39 -36.86 83.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.824 . . . . 0.0 108.917 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 87.0 tttt -57.02 -47.48 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.481 -0.762 . . . . 0.0 109.94 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -65.4 -38.61 90.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.485 -0.759 . . . . 0.0 110.002 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.528 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 54.6 p -65.34 -35.47 81.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.192 -0.943 . . . . 0.0 110.1 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.528 ' N ' ' HG ' ' A' ' 120' ' ' SER . 87.1 mt -62.37 -39.16 92.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.093 -1.004 . . . . 0.0 109.134 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.454 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 56.9 m95 -62.62 -38.42 90.14 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -41.92 99.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.427 -0.796 . . . . 0.0 109.69 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 m -61.93 -39.72 93.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -58.99 -42.53 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.865 . . . . 0.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -62.32 -41.78 98.83 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.195 -0.941 . . . . 0.0 110.501 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.18 -39.39 89.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 0.0 110.663 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -63.73 -42.64 97.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.967 -1.083 . . . . 0.0 110.357 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -62.44 -36.71 83.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.01 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -65.74 -41.19 92.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.856 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.44 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 95.0 mt -59.42 -44.34 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.045 -1.034 . . . . 0.0 110.431 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.2 mt -67.03 -41.78 86.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.067 . . . . 0.0 110.019 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.61 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 6.8 t60 -70.4 -45.92 65.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.213 -0.93 . . . . 0.0 111.395 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -144.39 54.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 110.716 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -38.75 92.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.899 -1.125 . . . . 0.0 109.128 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.42 -24.41 65.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.404 HD22 ' HG3' ' A' ' 87' ' ' GLU . 46.3 t30 -91.43 1.69 56.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.917 -1.114 . . . . 0.0 110.098 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.02 131.96 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.031 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.31 160.02 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.26 -38.04 89.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.0 m -63.2 -45.06 93.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.373 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 m -63.47 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 0.0 109.338 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 m -61.29 -39.97 92.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.75 -41.87 82.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 0.0 109.531 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.5 m -62.21 -40.51 96.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.235 -0.915 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.03 -41.57 95.15 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.432 -0.792 . . . . 0.0 109.708 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -62.25 -41.41 98.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 108.98 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.84 -42.71 99.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.306 -0.872 . . . . 0.0 109.081 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.0 -43.18 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.18 -38.39 86.34 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.611 -0.681 . . . . 0.0 109.764 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.44 ' CZ ' ' CE1' ' A' ' 157' ' ' TYR . 17.1 t80 -60.27 -43.99 95.72 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.419 -0.801 . . . . 0.0 108.932 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -43.3 82.34 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.307 -0.871 . . . . 0.0 108.887 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.12 -44.17 92.0 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.372 -0.83 . . . . 0.0 109.551 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.7 mt -70.04 -48.72 61.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.943 -1.098 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.44 ' CE1' ' CZ ' ' A' ' 153' ' ' TYR . 1.4 m-85 -65.03 -35.73 82.12 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 110.73 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.454 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 30.7 tp -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.458 ' N ' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.36 -39.72 74.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.261 -0.9 . . . . 0.0 109.411 179.131 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.46 -39.05 86.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.11 -36.89 75.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.182 -0.948 . . . . 0.0 108.543 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.78 70.78 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.499 -0.751 . . . . 0.0 109.643 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.4 ' HZ3' ' CD ' ' B' ' 170' ' ' GLU . 44.1 mttm -78.43 -16.15 57.89 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.239 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.05 11.12 79.43 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -74.68 -28.44 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.461 -1.023 . . . . 0.0 109.775 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.4 mm -102.44 132.36 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.118 -0.989 . . . . 0.0 109.065 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.473 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 117.947 -1.474 . . . . 0.0 109.614 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.613 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.613 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.4 m120 -74.38 20.05 0.12 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.583 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.7 tt -63.64 -39.71 86.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.46 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 86.5 m-20 -72.22 -40.55 67.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.427 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -73.63 -37.4 65.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 109.704 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.6 tp -58.2 -46.93 84.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 135' ' ' ASP . 4.2 mm-40 -64.62 -38.94 92.73 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.465 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' B' ' 134' ' ' GLN . 6.7 m-20 -178.63 167.26 1.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 109.243 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.444 ' O ' ' C ' ' B' ' 137' ' ' GLN . 70.8 mtm -57.39 -29.05 63.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.888 . . . . 0.0 109.091 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' B' ' 136' ' ' MET . 92.7 mt-30 -41.0 153.77 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.835 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -89.54 -135.79 0.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.879 . . . . 0.0 110.275 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -55.4 144.35 25.79 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.835 . . . . 0.0 110.411 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.476 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.0 mtm -61.59 -37.98 85.88 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.829 0.823 . . . . 0.0 109.322 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.28 -33.66 69.68 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 109.073 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.07 -36.19 74.64 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 39.4 mt -58.77 -32.81 69.64 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.94 -30.28 47.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 C-N-CA 119.144 -1.023 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.73 -37.15 78.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.46 -35.66 74.5 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.32 83.58 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -55.76 -38.53 69.97 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.8 tt0 -60.35 -33.63 72.7 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.9 tt -54.9 -44.5 74.19 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.72 -40.53 95.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.382 -0.824 . . . . 0.0 109.246 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.2 tm-20 -62.64 -37.65 87.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.528 -0.732 . . . . 0.0 109.611 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.68 -50.21 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 110.437 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.16 -33.39 75.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.136 -0.977 . . . . 0.0 109.309 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.02 99.0 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.2 -0.938 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.0 mtp -66.87 -39.39 87.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.612 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.522 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.8 t-20 -60.84 -39.69 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -0.901 . . . . 0.0 109.509 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.522 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 0.8 OUTLIER 169.5 106.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.409 -0.807 . . . . 0.0 109.17 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.231 -0.918 . . . . 0.0 108.974 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.8 p -82.13 1.89 34.01 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.51 98.23 0.07 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -125.88 153.76 43.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.517 -0.99 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 8.3 mp -54.34 -35.46 62.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.47 -29.72 70.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.8 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.93 -21.78 58.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.103 -0.998 . . . . 0.0 110.182 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' B' ' 168' ' ' ASP . 4.4 pt -109.65 139.56 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.464 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' SER . . . . . 0.511 ' O ' ' CD1' ' B' ' 171' ' ' LEU . 29.0 t -60.35 80.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.396 -0.815 . . . . 0.0 110.163 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.487 ' OD1' ' OD2' ' B' ' 172' ' ' ASP . 46.1 t0 -62.6 -36.53 83.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 110.266 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.6 79.19 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.114 -0.991 . . . . 0.0 111.155 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . 0.4 ' CD ' ' HZ3' ' A' ' 163' ' ' LYS . 66.9 tt0 -71.22 -45.19 63.83 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.854 -1.154 . . . . 0.0 109.389 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' B' ' 167' ' ' SER . 12.2 mt -60.93 -38.85 87.23 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.752 -0.592 . . . . 0.0 109.934 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -67.46 -44.1 79.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 110.347 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.85 84.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.64 -32.82 74.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -63.15 -43.37 98.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 0.0 110.671 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.53 -40.6 97.45 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.01 -1.056 . . . . 0.0 109.543 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.18 67.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.38 -34.86 79.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.289 -0.882 . . . . 0.0 110.079 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.48 85.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.072 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.33 -37.31 82.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.388 -0.82 . . . . 0.0 109.461 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.4 tm-20 -69.13 -45.61 69.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 110.08 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.2 m-20 -72.24 -35.53 68.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.73 173.34 12.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.242 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.37 119.0 38.15 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.375 -0.828 . . . . 0.0 109.267 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.42 140.37 25.46 Favored Pre-proline 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 108.99 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo . . . . . 0 C--N 1.312 -1.374 0 C-N-CA 122.23 1.953 . . . . 0.0 112.226 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.73 78.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.438 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -60.91 -34.29 74.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.13 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -61.02 -36.74 80.31 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.262 -0.899 . . . . 0.0 109.104 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.62 93.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.487 -0.758 . . . . 0.0 109.428 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.67 75.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.939 . . . . 0.0 109.601 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -59.91 -39.14 84.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.27 -41.84 88.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.36 -46.38 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.0 109.308 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.77 83.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 108.862 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -61.43 -38.87 88.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.457 -0.777 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.94 84.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.223 -0.923 . . . . 0.0 108.734 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -61.46 -32.21 72.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.366 -0.834 . . . . 0.0 109.272 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.64 -41.23 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -63.69 -37.06 85.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.337 -0.852 . . . . 0.0 109.672 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.99 -42.15 97.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.065 -1.022 . . . . 0.0 108.889 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.72 -30.28 69.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.069 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.36 -10.57 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.51 -0.744 . . . . 0.0 109.723 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.13 4.82 62.73 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' H ' HG13 ' A' ' 18' ' ' VAL . 78.2 mt -95.96 55.3 1.57 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.068 -1.254 . . . . 0.0 109.237 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.72 61.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.4 mm -57.64 -43.14 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.02 -1.283 . . . . 0.0 109.37 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.45 -48.03 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.985 -1.072 . . . . 0.0 108.697 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.55 -32.2 77.31 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 83.2 t80 -58.32 -47.98 81.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.357 -1.084 . . . . 0.0 109.769 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.7 m-85 -67.42 -36.46 81.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.17 -0.956 . . . . 0.0 110.029 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.89 -41.31 99.38 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.068 -1.02 . . . . 0.0 110.02 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -62.23 -40.7 97.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 109.012 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.34 -40.36 89.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.371 -0.831 . . . . 0.0 109.368 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -66.28 -44.92 82.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 0.0 110.316 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.65 85.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.083 -1.011 . . . . 0.0 109.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 t -61.55 -48.75 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.583 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -62.76 -31.21 72.12 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.6 -48.05 83.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.465 -0.772 . . . . 0.0 109.62 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.07 -43.13 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -0.881 . . . . 0.0 109.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.89 -38.52 91.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.365 -0.835 . . . . 0.0 109.603 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 m -78.19 1.44 21.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.413 -0.804 . . . . 0.0 109.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.06 125.71 39.9 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.261 -0.9 . . . . 0.0 109.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.64 -37.1 85.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.896 . . . . 0.0 109.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.09 125.7 34.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.918 . . . . 0.0 110.084 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -139.88 140.96 36.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.342 -0.849 . . . . 0.0 109.576 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' A' ' 45' ' ' MET . 86.0 p -114.12 161.51 17.67 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -52.91 -36.79 59.98 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 108.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -43.1 75.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.221 -0.924 . . . . 0.0 110.129 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.402 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.4 mtp -69.82 -41.46 74.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.923 -1.11 . . . . 0.0 109.762 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.4 m -63.49 -43.88 95.98 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.56 -34.63 76.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.444 -0.785 . . . . 0.0 109.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.34 -40.12 95.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.691 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.61 91.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.118 -0.989 . . . . 0.0 109.559 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -61.43 -45.71 93.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.8 . . . . 0.0 110.459 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.57 -38.0 74.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.7 -37.0 85.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.0 109.847 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -58.46 -39.48 80.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.939 -1.101 . . . . 0.0 109.244 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.84 -42.18 98.73 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 m -66.52 -46.18 77.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -0.874 . . . . 0.0 109.768 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt -60.09 -47.55 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.426 -0.796 . . . . 0.0 109.686 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.68 -38.74 92.02 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.062 -1.024 . . . . 0.0 109.135 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.3 76.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.33 -0.856 . . . . 0.0 108.841 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.3 t80 -65.42 -48.84 71.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.696 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.7 tttt -64.9 -40.45 95.11 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.061 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.06 -33.77 76.15 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.67 66.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -125.0 8.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.532 -0.73 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.2 -37.71 31.4 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.31 0.18 63.35 Favored Glycine 0 N--CA 1.489 2.211 0 O-C-N 121.297 -1.119 . . . . 0.0 110.563 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.73 -37.92 80.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.884 -1.362 . . . . 0.0 108.893 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.54 -29.09 0.7 Allowed 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.31 -31.52 72.14 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.65 -36.29 82.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.391 -0.818 . . . . 0.0 108.918 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.88 -37.69 66.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.908 . . . . 0.0 108.874 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.47 -40.37 86.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.38 -0.825 . . . . 0.0 109.334 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.671 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -129.61 -63.2 0.94 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.671 ' N ' ' HG ' ' A' ' 72' ' ' SER . 1.2 t0 72.02 -23.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' A' ' 72' ' ' SER . 72.9 mttt -90.04 -80.24 0.32 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.108 -0.995 . . . . 0.0 109.656 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.1 p -67.64 -33.02 74.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.8 tp -68.15 -37.62 81.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -61.1 -45.84 93.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.168 -0.957 . . . . 0.0 109.89 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -66.12 -40.15 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.066 -1.021 . . . . 0.0 108.68 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.449 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.3 ttt -57.88 -36.52 72.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.23 -32.47 71.16 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.49 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.67 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 28.0 m -56.85 -38.11 72.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.498 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 74.7 mt -60.23 -40.26 89.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.494 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -86.16 -45.32 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.126 -0.984 . . . . 0.0 111.44 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.56 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 92.1 m-70 -74.39 -48.13 29.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 0.0 111.235 -178.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -79.04 99.59 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.906 -1.121 . . . . 0.0 109.515 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.436 -0.79 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.58 -47.5 83.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.967 . . . . 0.0 110.175 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -65.64 -43.2 90.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.104 -0.997 . . . . 0.0 109.174 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.492 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.92 -38.01 89.49 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.674 ' NZ ' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.76 -45.98 74.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.612 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 91' ' ' ILE . 73.2 mt -64.73 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.572 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CZ ' ' CG ' ' B' ' 134' ' ' GLN . 53.0 t80 -64.64 -43.04 94.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.984 . . . . 0.0 109.702 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 tpt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.181 -0.949 . . . . 0.0 108.815 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.79 -43.93 91.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.98 -40.99 99.4 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.087 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.28 -50.07 64.96 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 56.8 m -62.26 -43.64 98.37 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.445 -0.784 . . . . 0.0 108.931 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 83.9 mmm -62.52 -38.34 89.56 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.282 -0.886 . . . . 0.0 109.614 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -63.82 -47.28 81.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.4 tp -67.41 -41.46 84.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.36 -41.85 98.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -62.23 -39.66 93.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.173 -0.954 . . . . 0.0 109.928 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.584 ' HZ1' ' CD1' ' A' ' 117' ' ' LEU . 8.8 mmpt? -62.58 -45.71 91.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.77 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.81 -35.41 72.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.239 -0.913 . . . . 0.0 108.556 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.566 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.3 tttp -59.37 -43.45 92.88 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.14 -36.47 84.35 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 9.9 tp -58.64 -33.33 69.95 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 66.6 tttt -59.17 -39.07 81.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.71 -0.619 . . . . 0.0 110.135 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.5 m-20 -167.85 -20.43 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.187 -0.946 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.71 156.53 7.46 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.74 141.54 85.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.406 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.6 m-90 -106.1 136.64 45.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 108.913 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.5 p30 -155.21 172.54 18.0 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.963 -1.086 . . . . 0.0 110.401 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.5 t -55.55 -39.27 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.0 ttp -56.44 -42.24 77.8 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.901 -1.124 . . . . 0.0 108.423 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.584 ' CD1' ' HZ1' ' A' ' 104' ' ' LYS . 41.9 tp -62.2 -35.37 78.66 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.37 -0.831 . . . . 0.0 109.036 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.409 ' CE ' ' OD2' ' B' ' 182' ' ' ASP . 81.4 tttt -57.2 -47.17 81.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.473 -0.767 . . . . 0.0 109.867 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -67.81 -39.04 84.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.437 -0.789 . . . . 0.0 109.832 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -60.76 -40.27 91.89 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.308 -0.87 . . . . 0.0 109.982 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -41.04 99.28 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.158 -0.964 . . . . 0.0 109.22 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.484 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 48.4 m95 -64.18 -37.72 88.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.11 98.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.4 -0.812 . . . . 0.0 109.899 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.37 -39.63 93.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.295 -0.878 . . . . 0.0 109.69 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.8 mt -57.94 -42.16 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -40.88 97.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 110.091 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.86 -40.0 93.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.87 . . . . 0.0 110.41 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -65.25 -42.58 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.008 -1.057 . . . . 0.0 110.329 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -64.42 -31.9 73.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.063 -1.023 . . . . 0.0 109.755 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -69.13 -41.99 76.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.252 -0.905 . . . . 0.0 109.749 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.577 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.4 mt -59.28 -42.64 87.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 110.243 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.46 -45.42 72.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 110.134 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.583 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.2 t60 -68.23 -41.9 80.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.921 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.12 -31.58 71.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 111.453 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -143.33 59.3 1.4 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.69 -1.256 . . . . 0.0 111.266 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -62.19 -38.69 90.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.904 -1.122 . . . . 0.0 109.157 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.66 -28.7 68.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.115 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.674 HD21 ' NZ ' ' A' ' 90' ' ' LYS . 12.8 t30 -91.82 -0.81 57.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.77 -1.206 . . . . 0.0 110.387 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.451 HG21 HD12 ' A' ' 139' ' ' ILE . 73.6 mt -118.13 127.31 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.135 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.2 m -70.6 160.02 33.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.45 -38.72 92.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.7 m -64.97 -44.91 87.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -38.72 92.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.386 -0.821 . . . . 0.0 109.42 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.3 m -61.64 -39.46 91.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.796 . . . . 0.0 109.412 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.95 -40.62 80.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.348 -0.845 . . . . 0.0 109.953 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.8 m -61.43 -40.52 94.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.186 -0.946 . . . . 0.0 109.415 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 85.0 mt -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.297 -0.877 . . . . 0.0 109.585 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.68 -36.67 79.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.436 -0.79 . . . . 0.0 109.453 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 17.8 tttp -61.91 -40.54 95.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 108.987 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.66 -42.34 98.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.877 . . . . 0.0 109.115 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.32 -42.01 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.07 -38.82 87.56 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.612 -0.68 . . . . 0.0 109.964 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.0 108.909 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.98 -40.37 91.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.837 . . . . 0.0 108.753 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -58.92 -43.79 91.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.483 -0.761 . . . . 0.0 109.668 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 156' ' ' ILE . 87.9 mt -69.64 -50.16 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.89 . . . . 0.0 110.641 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.435 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.68 -36.55 82.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 110.477 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.484 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 33.3 tp -60.05 -37.35 79.57 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 -41.72 90.41 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -59.41 -38.05 79.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.42 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.33 -35.21 75.11 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.01 -30.56 71.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.507 -0.746 . . . . 0.0 109.443 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.551 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -81.29 -13.13 58.77 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.17 -0.956 . . . . 0.0 109.245 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.47 80.9 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.75 -28.97 60.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.438 -1.036 . . . . 0.0 109.909 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.31 130.99 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.576 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.607 ' C ' ' H ' ' B' ' 130' ' ' ILE . 73.0 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -74.94 20.1 0.13 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.607 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.1 tt -66.36 -42.84 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 138' ' ' ASP . 88.6 m-20 -70.65 -42.29 71.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.711 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -67.25 -44.16 80.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.681 0.753 . . . . 0.0 109.084 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.3 -46.74 82.27 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.779 0.799 . . . . 0.0 109.556 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.449 ' CG ' ' CZ ' ' A' ' 92' ' ' TYR . 1.2 tp-100 -63.2 -38.6 91.82 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.667 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' B' ' 136' ' ' MET . 60.9 t0 -174.63 -125.17 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.352 -0.842 . . . . 0.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' B' ' 137' ' ' GLN . 64.7 mtt -120.79 174.52 6.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.509 -0.744 . . . . 0.0 109.388 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.57 ' CB ' ' O ' ' B' ' 136' ' ' MET . 16.2 tp60 83.83 117.59 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.691 -0.63 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.482 ' O ' ' OD2' ' B' ' 131' ' ' ASP . 91.2 m-20 -59.85 -38.58 82.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.618 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -118.37 138.87 52.13 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.201 -0.937 . . . . 0.0 110.492 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 36.1 mtp -64.59 -40.29 95.25 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.92 0.866 . . . . 0.0 109.736 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.19 -33.64 69.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.216 -0.927 . . . . 0.0 108.959 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.59 -36.43 76.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.162 -0.961 . . . . 0.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.24 -33.24 67.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.58 -30.06 47.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 119.139 -1.025 . . . . 0.0 108.338 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.36 -38.13 73.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.37 -35.86 74.69 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.34 84.02 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.93 -38.8 70.77 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.896 -1.355 . . . . 0.0 107.869 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.566 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 79.8 tt0 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.55 -42.34 74.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 0.0 108.764 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.65 -40.62 92.68 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.3 tm-20 -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.646 -0.659 . . . . 0.0 109.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.67 -50.44 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.276 -0.89 . . . . 0.0 110.45 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.77 -33.09 74.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 109.147 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.61 95.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.379 -0.826 . . . . 0.0 109.513 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 89.0 mtp -64.33 -40.06 95.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.005 . . . . 0.0 109.47 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.12 -39.12 88.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.861 . . . . 0.0 109.336 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.6 m-20 171.67 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.496 -0.752 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.15 -35.83 72.1 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.014 -1.054 . . . . 0.0 108.772 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.3 m -85.59 4.86 34.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.72 97.98 0.06 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -120.56 153.01 37.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.587 -0.949 . . . . 0.0 109.13 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.8 mp -55.63 -34.01 64.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.246 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.35 -33.7 71.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -75.53 -24.15 56.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.525 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.5 mt -102.23 132.88 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 108.621 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 77.1 p -59.54 68.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.457 -0.777 . . . . 0.0 110.476 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.8 t0 -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.83 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.26 75.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.973 -1.079 . . . . 0.0 111.745 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.64 67.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.667 -1.271 . . . . 0.0 109.699 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.7 -38.35 90.07 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.756 -0.59 . . . . 0.0 110.363 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.1 m-20 -61.49 -43.13 99.41 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.25 -0.906 . . . . 0.0 110.509 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.103 -0.998 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.551 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.62 -36.97 85.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.228 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.39 -35.46 79.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 110.597 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.9 m-20 -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.976 -1.077 . . . . 0.0 108.918 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.48 -43.07 67.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.001 -1.062 . . . . 0.0 108.186 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.91 -37.79 88.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.544 -0.722 . . . . 0.0 109.612 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.24 -39.78 73.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.038 -1.039 . . . . 0.0 108.686 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.17 -41.9 97.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.409 ' OD2' ' CE ' ' A' ' 118' ' ' LYS . 81.0 m-20 -93.36 -32.95 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.106 -0.996 . . . . 0.0 110.633 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.34 170.94 15.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.145 -0.972 . . . . 0.0 109.448 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.1 m -109.28 123.75 49.78 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.435 -0.791 . . . . 0.0 109.377 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 5.7 mp -91.51 141.64 26.12 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 C--N 1.311 -1.403 0 C-N-CA 122.244 1.963 . . . . 0.0 112.251 -179.783 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.79 78.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.386 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.474 ' ND2' ' N ' ' A' ' 1' ' ' MET . 87.3 m-20 -60.5 -36.84 79.31 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.85 93.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 109.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -59.64 -43.01 94.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.324 -0.86 . . . . 0.0 109.246 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.3 -43.32 96.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.37 -46.06 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 0.0 109.582 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.14 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.336 -0.852 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.2 m -62.03 -38.64 89.44 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.0 109.465 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.03 91.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.2 -0.937 . . . . 0.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -31.15 70.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.181 -0.949 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.98 -42.97 99.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.228 -0.92 . . . . 0.0 109.363 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.42 -37.42 87.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.388 -0.82 . . . . 0.0 109.727 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.85 -42.14 97.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.059 -1.026 . . . . 0.0 108.725 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -60.83 -30.99 70.43 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.55 -12.08 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.527 -0.733 . . . . 0.0 109.824 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.41 5.06 63.76 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.457 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 76.7 mt -95.98 69.69 2.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.98 -1.306 . . . . 0.0 109.39 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.46 -33.73 87.25 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.8 mt -57.63 -43.21 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.025 -1.28 . . . . 0.0 109.985 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -66.42 -47.75 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.941 -1.099 . . . . 0.0 108.727 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.91 -32.68 80.66 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.688 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.9 t80 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -1.105 . . . . 0.0 109.955 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 41.6 m-85 -67.31 -36.56 81.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 110.271 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.8 -41.6 99.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.04 . . . . 0.0 109.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.2 -39.99 94.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 108.919 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.17 -40.88 94.91 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.425 -0.797 . . . . 0.0 109.231 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.476 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 17.7 t80 -65.08 -42.34 94.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.14 82.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.062 -1.024 . . . . 0.0 109.935 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.7 -46.34 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 110.277 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HB3' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.1 -31.89 73.14 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.293 -0.88 . . . . 0.0 110.089 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.476 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -60.88 -45.57 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.975 . . . . 0.0 109.548 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.39 -46.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.319 -0.863 . . . . 0.0 109.375 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.59 -36.43 83.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.2 p -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -88.2 122.59 31.93 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.451 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.09 -37.46 85.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.887 . . . . 0.0 109.677 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -86.45 125.89 34.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.0 109.986 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -134.56 142.74 47.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.826 . . . . 0.0 109.589 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.15 159.83 19.64 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -52.95 -34.68 56.79 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.85 -1.156 . . . . 0.0 108.425 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.29 -44.97 67.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.349 -0.844 . . . . 0.0 109.806 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.409 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.5 mtp -69.55 -40.85 76.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.998 -1.063 . . . . 0.0 109.95 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 m -62.47 -43.51 98.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.589 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.24 81.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.326 -0.859 . . . . 0.0 109.773 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.59 -41.12 98.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.319 -0.863 . . . . 0.0 109.652 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.65 87.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.5 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.4 -45.87 92.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 110.419 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.45 -37.93 76.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.673 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.28 -37.22 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.23 -0.919 . . . . 0.0 110.012 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.6 mt -58.66 -39.37 80.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.27 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.325 -0.859 . . . . 0.0 109.358 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.6 m -64.19 -42.84 96.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.367 -0.833 . . . . 0.0 109.928 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.44 -51.35 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 109.488 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.71 -37.86 85.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.76 87.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.0 109.216 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.2 t80 -68.61 -48.88 62.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.439 -0.788 . . . . 0.0 109.718 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.5 tttt -63.32 -39.18 93.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.92 -34.03 76.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.576 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.21 -31.53 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.253 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 75.4 mt -123.82 10.39 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.573 -0.705 . . . . 0.0 109.833 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.56 -37.73 61.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.13 65.6 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.41 -38.57 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.064 -1.257 . . . . 0.0 109.06 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.39 -29.36 1.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.02 81.87 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.422 -0.799 . . . . 0.0 109.383 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.02 -43.36 86.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.554 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.64 -39.41 93.65 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.7 t -160.88 97.66 1.17 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.3 p30 -96.26 7.07 47.38 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.232 -0.918 . . . . 0.0 109.598 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.94 -75.73 0.52 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -67.14 -39.48 86.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 111.365 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.76 -35.44 74.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.508 -1.37 . . . . 0.0 109.881 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.592 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -60.18 -45.26 93.74 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.096 -1.002 . . . . 0.0 109.596 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.1 -42.14 95.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 108.274 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.464 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 7.8 ttt -58.83 -36.47 74.58 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.49 -32.71 71.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.677 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -56.84 -37.66 71.57 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 63.1 mt -60.33 -41.22 93.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.555 -0.716 . . . . 0.0 109.647 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -85.34 -45.34 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.272 -0.893 . . . . 0.0 111.412 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 88.2 m-70 -73.55 -46.98 44.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 0.0 111.164 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -81.37 100.52 9.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.937 -1.102 . . . . 0.0 109.444 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -37.25 86.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.416 -0.803 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -47.11 84.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.253 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -64.96 -41.91 95.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 109.384 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.84 88.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 108.918 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -45.58 69.69 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.446 -0.784 . . . . 0.0 109.659 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.87 -47.25 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.151 -0.968 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -63.86 -43.57 95.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.151 -0.968 . . . . 0.0 109.279 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.79 -42.7 99.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 108.635 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.41 -41.47 96.61 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.476 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.2 m120 -62.74 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 0.0 109.415 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -65.56 -49.58 68.32 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.631 -0.828 . . . . 0.0 108.955 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.8 m -63.12 -45.13 93.43 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.37 -0.831 . . . . 0.0 109.175 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.9 mmm -63.5 -40.07 96.09 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.323 -0.861 . . . . 0.0 109.477 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 24.7 m -63.0 -46.09 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 109.263 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.81 -45.8 84.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.272 -0.893 . . . . 0.0 108.878 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -62.0 -39.99 94.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.615 -0.678 . . . . 0.0 109.793 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 50.0 t-20 -59.43 -38.06 79.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.463 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.13 -39.51 93.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.695 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -63.48 -45.72 89.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.5 mt -67.75 -36.64 80.9 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.4 tttt -60.79 -46.37 90.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.56 -36.97 85.93 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -59.43 -32.18 69.97 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 18.3 tttt -58.84 -39.86 82.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.765 -0.584 . . . . 0.0 109.976 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.9 m-20 -169.24 -22.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.22 -0.925 . . . . 0.0 110.508 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.77 157.7 3.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.29 140.85 79.42 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.888 2.392 . . . . 0.0 112.664 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -106.35 137.71 43.83 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.51 172.44 17.16 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.99 -1.069 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.46 -39.18 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.683 -0.636 . . . . 0.0 109.305 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.3 -42.61 77.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.993 -1.067 . . . . 0.0 108.769 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.32 -37.19 84.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.242 -0.911 . . . . 0.0 108.883 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -58.88 -47.7 84.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.466 -0.771 . . . . 0.0 109.976 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -67.61 -39.01 84.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 109.611 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 m -61.71 -39.23 90.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.835 . . . . 0.0 109.79 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.85 -41.98 98.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.112 -0.992 . . . . 0.0 109.347 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.473 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.0 m95 -62.08 -37.89 86.73 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 108.998 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -40.83 92.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.434 -0.791 . . . . 0.0 109.248 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.84 -40.07 94.03 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.446 -0.784 . . . . 0.0 109.65 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.34 -42.52 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.929 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.26 -40.88 97.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.88 -40.83 94.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.297 -0.877 . . . . 0.0 110.433 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -64.22 -44.83 90.69 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.085 -1.009 . . . . 0.0 110.165 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.36 -36.31 81.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 0.0 109.955 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.528 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -66.09 -42.97 88.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.218 -0.926 . . . . 0.0 109.87 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.528 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.4 mt -59.4 -43.14 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 110.204 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.84 -45.26 71.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.114 -0.991 . . . . 0.0 110.261 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 33' ' ' GLU . 4.8 t60 -66.27 -46.32 77.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 110.698 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -31.5 71.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.282 -0.886 . . . . 0.0 111.635 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -137.29 55.47 1.81 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.813 -1.18 . . . . 0.0 111.269 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -62.22 -38.08 87.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.9 -1.125 . . . . 0.0 109.313 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.14 -28.89 67.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 111.451 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -91.89 0.78 57.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.731 -1.231 . . . . 0.0 110.515 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.98 126.75 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.356 -0.84 . . . . 0.0 109.253 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -70.85 160.09 33.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.08 -38.65 91.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.1 m -65.39 -45.29 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -62.98 -39.24 94.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 0.0 109.339 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 47.2 m -61.3 -39.74 91.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.398 -0.814 . . . . 0.0 109.541 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.84 -39.43 77.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.715 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 m -61.94 -41.04 97.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.88 -40.84 91.96 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.421 -0.8 . . . . 0.0 109.658 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.65 -36.53 78.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.72 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.558 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 94.8 mtt-85 -61.23 -42.33 98.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 108.963 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.02 -43.04 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.426 -0.796 . . . . 0.0 108.881 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.6 mmtt -61.06 -40.53 93.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.569 -0.707 . . . . 0.0 109.664 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.73 -43.45 85.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 1.9 m -64.63 -42.4 95.5 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -58.89 -43.9 91.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.476 -0.765 . . . . 0.0 109.757 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 84.2 mt -69.48 -50.12 53.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.619 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.448 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 0.9 OUTLIER -66.96 -36.33 81.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.16 -0.963 . . . . 0.0 110.614 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.473 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 32.7 tp -60.01 -37.05 78.6 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.5 m -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.547 -0.72 . . . . 0.0 109.914 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.5 -38.55 81.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.92 -34.76 73.64 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.063 -1.023 . . . . 0.0 108.272 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.92 -30.94 71.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.527 -0.733 . . . . 0.0 109.564 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.562 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 53.5 mttm -81.54 -13.42 58.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.164 -0.96 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.25 12.4 80.77 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.58 -29.2 61.24 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.431 -1.041 . . . . 0.0 109.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.422 HG23 HD11 ' A' ' 166' ' ' ILE . 17.5 mm -102.59 129.88 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.962 . . . . 0.0 108.936 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.638 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.618 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.618 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.7 m120 -74.91 19.78 0.14 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.569 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.7 tt -64.81 -39.55 86.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.462 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 92.4 m-20 -72.98 -45.41 58.1 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.508 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' B' ' 138' ' ' ASP . 0.7 OUTLIER -68.4 -40.52 81.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 109.904 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.6 tt -59.03 -47.93 83.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.45 -0.781 . . . . 0.0 110.593 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.58 -37.43 79.85 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.677 -0.639 . . . . 0.0 110.404 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 52.8 p30 -163.15 161.04 24.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.926 -1.109 . . . . 0.0 109.939 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.82 -32.97 72.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 109.71 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.471 ' CD ' ' CD2' ' B' ' 143' ' ' LEU . 53.6 mt-30 -60.62 145.09 50.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.874 . . . . 0.0 109.587 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' B' ' 132' ' ' LYS . 86.6 m-20 -104.45 157.83 16.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 138' ' ' ASP . 96.1 mt-10 55.7 115.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.472 -0.768 . . . . 0.0 110.253 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.76 -36.44 78.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.414 -0.804 . . . . 0.0 109.319 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -57.01 -33.92 67.64 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.291 -0.881 . . . . 0.0 108.985 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.25 -38.32 79.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 0.0 108.908 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.471 ' CD2' ' CD ' ' B' ' 137' ' ' GLN . 65.2 mt -59.01 -34.08 71.46 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.262 -0.899 . . . . 0.0 108.582 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 51.7 mt -68.03 -31.01 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.87 -37.92 69.46 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . 0.469 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 7.1 tt0 -59.12 -36.37 75.07 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.27 80.8 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -55.88 -39.13 71.11 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.79 -1.418 . . . . 0.0 107.922 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.5 tt0 -61.7 -34.38 75.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.465 -0.772 . . . . 0.0 108.987 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.3 tt -55.06 -45.1 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 108.789 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.96 -39.78 93.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 109.306 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.542 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 1.8 tm-20 -61.65 -38.91 89.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.494 -0.754 . . . . 0.0 109.922 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 34.6 t -64.03 -50.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.298 -0.876 . . . . 0.0 110.366 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.29 -33.81 76.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 109.384 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -63.07 -43.23 99.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.249 -0.907 . . . . 0.0 109.493 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 59.3 mtt -69.12 -38.46 78.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 109.682 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.67 -40.08 90.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.446 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.618 ' N ' HD21 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 173.54 103.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.472 -0.767 . . . . 0.0 109.257 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 86.8 m-20 -58.35 -35.77 72.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.22 -0.925 . . . . 0.0 109.11 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.9 p -83.06 2.82 33.2 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.96 0.06 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -122.46 152.63 40.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.519 -0.989 . . . . 0.0 109.205 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.24 -34.41 66.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.444 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.47 -33.78 71.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.442 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -75.59 -23.41 56.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 0.0 109.603 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.3 mt -102.39 131.97 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.751 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.6 m -58.93 70.47 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.425 -0.797 . . . . 0.0 110.407 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.2 t0 -63.13 -36.73 84.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.148 -0.97 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.18 76.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.849 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -42.76 67.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.729 -1.232 . . . . 0.0 109.723 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.79 -38.37 90.4 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.64 -0.663 . . . . 0.0 110.344 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.5 m-20 -61.38 -43.01 99.61 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.0 110.544 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.89 80.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.019 -1.05 . . . . 0.0 109.891 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.562 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.42 -36.59 84.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 19.4 tp -67.34 -35.1 78.7 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.637 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.592 ' O ' ' NE2' ' B' ' 180' ' ' GLN . 30.7 m-20 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.916 -1.115 . . . . 0.0 108.983 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.04 71.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.948 -1.095 . . . . 0.0 108.171 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 18.0 tp -64.5 -36.46 84.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.598 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.86 -40.14 69.38 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.924 -1.11 . . . . 0.0 108.729 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . 0.722 ' N ' HE21 ' B' ' 180' ' ' GLN . 0.0 OUTLIER -65.19 -28.11 69.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.414 -0.803 . . . . 0.0 109.283 179.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.19 -53.5 56.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 110.532 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -76.84 -40.15 48.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.22 173.84 6.24 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.476 -0.765 . . . . 0.0 109.083 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.3 128.93 55.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.369 -0.832 . . . . 0.0 109.483 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.564 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 0.1 OUTLIER -90.54 145.15 31.79 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.171 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo . . . . . 0 C--N 1.304 -1.788 0 C-N-CA 122.581 2.187 . . . . 0.0 112.255 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.83 82.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.474 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.78 -38.41 85.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -60.55 -36.76 79.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.353 -0.842 . . . . 0.0 109.354 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.35 88.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.0 109.608 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.1 83.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.93 . . . . 0.0 110.061 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -59.92 -39.66 86.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.141 -0.974 . . . . 0.0 109.227 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.31 -39.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.95 -45.51 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -41.79 82.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 108.867 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -61.25 -38.73 87.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.417 -0.802 . . . . 0.0 108.983 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.9 83.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 108.693 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -60.88 -32.03 71.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.431 -0.793 . . . . 0.0 109.132 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -60.71 -40.61 92.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.39 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -63.73 -39.02 93.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.436 -0.79 . . . . 0.0 109.899 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.12 -40.59 94.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.007 -1.058 . . . . 0.0 108.994 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.0 -30.81 70.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.433 -0.792 . . . . 0.0 109.384 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.58 -7.52 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.381 -0.825 . . . . 0.0 109.86 -179.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.62 5.3 63.23 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.499 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' H ' HG13 ' A' ' 18' ' ' VAL . 70.5 mt -99.56 65.3 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.019 -1.283 . . . . 0.0 109.449 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -31.07 77.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.5 mt -57.24 -43.05 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.018 -1.283 . . . . 0.0 109.641 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.53 -47.11 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.643 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -33.49 83.68 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.9 t80 -59.16 -48.86 80.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -1.051 . . . . 0.0 109.797 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.0 m-85 -67.3 -35.85 80.3 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.245 -0.909 . . . . 0.0 109.953 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.09 -41.74 94.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.049 . . . . 0.0 110.426 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.45 -39.86 92.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.922 -1.111 . . . . 0.0 108.812 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.21 -38.61 91.66 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.443 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 55.6 t80 -63.71 -44.12 94.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.668 -0.645 . . . . 0.0 110.13 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.69 88.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.2 t -61.51 -48.57 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.058 -1.026 . . . . 0.0 110.311 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.09 -32.42 73.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.611 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.56 -46.2 90.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.21 -45.93 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.661 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.29 -36.75 84.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.365 -0.835 . . . . 0.0 109.699 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -67.92 -14.52 63.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -89.72 124.23 34.43 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.503 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -35.06 78.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.92 . . . . 0.0 109.937 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -82.87 125.72 31.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.009 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -139.65 141.12 37.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.286 -0.884 . . . . 0.0 109.655 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.33 162.6 16.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -53.59 -35.21 60.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.882 -1.136 . . . . 0.0 108.618 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.24 -45.23 66.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 110.004 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.404 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -69.41 -40.7 77.15 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.006 -1.059 . . . . 0.0 109.887 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.5 m -62.38 -43.1 99.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.38 74.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.36 -40.55 96.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.761 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.96 88.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 109.569 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -60.8 -45.76 93.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 110.488 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.27 -38.11 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 109.783 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.59 -37.01 86.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.031 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.41 -38.74 78.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.927 -1.108 . . . . 0.0 109.332 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.224 -0.922 . . . . 0.0 109.303 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.2 m -65.9 -46.79 77.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 109.711 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mt -59.45 -48.38 87.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.64 -38.75 92.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.038 -1.039 . . . . 0.0 109.112 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.12 -41.57 77.19 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.297 -0.877 . . . . 0.0 108.931 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.9 t80 -65.53 -48.78 71.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.426 -0.796 . . . . 0.0 109.729 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 64' ' ' GLY . 63.3 tttt -65.39 -42.33 92.76 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.291 -0.881 . . . . 0.0 109.132 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -63.17 -33.67 75.97 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -58.45 -31.06 67.42 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 68.8 mt -122.71 8.95 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.601 -0.687 . . . . 0.0 109.705 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.4 -38.18 61.87 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.51 4.37 62.34 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.225 -1.162 . . . . 0.0 110.431 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.69 -37.48 81.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.912 -1.346 . . . . 0.0 108.978 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -29.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.65 -29.99 71.04 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' ' HE2' ' A' ' 77' ' ' HIS . . . -59.85 -38.16 81.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.437 -0.79 . . . . 0.0 109.259 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.76 -42.79 84.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -64.23 -39.37 93.83 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -161.57 97.49 1.09 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -95.64 4.7 52.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -94.7 -75.32 0.52 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.193 -0.942 . . . . 0.0 110.206 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.1 p -67.01 -38.15 85.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.791 . . . . 0.0 111.405 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.54 -35.39 77.36 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.606 -1.309 . . . . 0.0 109.89 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.7 m170 -59.79 -45.11 93.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.993 . . . . 0.0 109.443 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -65.01 -42.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.638 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.456 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 8.2 ttt -58.74 -36.42 74.3 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.36 -32.71 71.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -56.79 -37.23 70.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.49 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 63.7 mt -60.14 -40.7 90.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 0.0 109.565 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 77.5 mt -86.22 -45.56 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.7 m-70 -72.71 -47.97 42.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 111.129 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.62 101.07 9.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.876 -1.14 . . . . 0.0 109.612 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.53 -35.75 81.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.402 -0.811 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.91 -47.93 82.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 0.0 110.532 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -67.53 -42.44 82.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.11 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.62 87.96 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HE2' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.26 -46.14 69.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.491 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.0 -43.11 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.886 . . . . 0.0 109.428 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 50.9 t80 -62.88 -44.93 94.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.26 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 tpt -64.26 -44.61 91.23 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.226 -0.921 . . . . 0.0 108.673 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.47 -43.58 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.6 -41.79 97.94 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.378 -0.826 . . . . 0.0 109.0 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' O ' ' OG ' ' A' ' 99' ' ' SER . 62.8 t80 -66.49 -49.24 67.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 108.9 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.8 m -61.73 -43.71 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.461 -0.775 . . . . 0.0 109.025 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.2 -37.81 86.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.398 -0.814 . . . . 0.0 109.55 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 96' ' ' PHE . 84.1 p -64.66 -44.11 91.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -0.916 . . . . 0.0 109.208 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.594 ' CD2' ' HG ' ' A' ' 124' ' ' CYS . 40.5 tp -67.68 -42.22 82.45 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.412 ' CD2' ' CD1' ' B' ' 150' ' ' LEU . 41.1 t80 -62.21 -43.31 99.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -63.16 -40.5 97.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 109.709 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.68 -41.09 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.782 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -63.8 -45.45 89.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.0 109.951 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.6 mt -67.16 -35.77 80.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.222 -0.924 . . . . 0.0 108.736 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.57 -45.14 92.73 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.89 -36.63 84.58 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 10.3 tp -60.15 -33.19 71.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.618 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 49.7 tttt -59.13 -38.94 80.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.628 -0.67 . . . . 0.0 110.32 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -167.57 -22.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.68 155.85 3.85 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.29 141.72 88.68 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.816 2.344 . . . . 0.0 112.377 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -105.85 136.05 46.18 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -153.04 173.47 15.4 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.952 -1.092 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.36 -39.68 53.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.7 ttm -57.22 -42.58 81.63 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.999 -1.063 . . . . 0.0 108.774 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.37 -37.14 84.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.332 -0.855 . . . . 0.0 109.069 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.4 tttt -57.35 -47.03 82.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.498 -0.751 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -66.73 -39.64 88.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.574 -0.703 . . . . 0.0 109.77 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -58.49 -40.28 82.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 110.356 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.34 -41.86 98.9 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.985 -1.072 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.492 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 51.7 m95 -62.9 -38.19 89.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.323 -0.861 . . . . 0.0 109.027 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -41.31 93.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.491 -0.756 . . . . 0.0 109.617 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.594 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 80.5 m -62.53 -40.36 96.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.69 -42.42 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.932 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.54 -41.06 93.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.97 . . . . 0.0 109.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.87 -40.57 97.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.89 . . . . 0.0 110.166 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -64.46 -43.87 92.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.183 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.4 m -62.22 -36.64 82.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.155 -0.965 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.407 ' SG ' ' CD1' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.12 -40.54 90.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 0.0 109.836 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.401 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.38 -43.06 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.141 -0.974 . . . . 0.0 110.388 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.57 -45.27 76.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.952 -1.092 . . . . 0.0 110.201 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.586 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.2 t60 -67.3 -42.81 83.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.926 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.407 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 86.6 mt -62.77 -32.2 73.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.285 -0.884 . . . . 0.0 112.021 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -142.32 60.14 1.45 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.635 -178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.84 -38.17 89.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.115 . . . . 0.0 109.083 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -27.67 66.88 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.57 -0.706 . . . . 0.0 111.299 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.403 HD21 ' HE2' ' A' ' 90' ' ' LYS . 8.2 t30 -91.55 0.72 57.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.815 -1.178 . . . . 0.0 110.267 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.5 mt -117.79 130.12 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.028 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -70.43 159.87 33.4 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.193 -0.942 . . . . 0.0 109.264 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.2 -38.54 91.41 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.229 -0.919 . . . . 0.0 109.394 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.3 m -66.04 -43.73 86.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.405 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.0 t -62.12 -39.05 91.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 56.0 m -60.58 -41.23 94.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.0 m -61.79 -40.54 95.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.256 -0.902 . . . . 0.0 109.536 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.356 -0.84 . . . . 0.0 109.639 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.83 -36.7 79.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.476 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 16.3 tttp -61.98 -42.13 98.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.942 . . . . 0.0 109.036 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -62.41 -42.21 99.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.219 -0.925 . . . . 0.0 109.034 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.25 -41.98 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.6 mmtt -60.87 -37.85 83.56 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.745 -0.597 . . . . 0.0 109.922 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -58.07 -43.69 87.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 109.137 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.97 -41.09 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.924 . . . . 0.0 108.829 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -58.96 -43.97 91.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.71 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.447 ' O ' ' OG ' ' A' ' 159' ' ' SER . 85.7 mt -69.51 -50.04 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 110.614 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -66.57 -36.46 82.69 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.21 -0.931 . . . . 0.0 110.572 -179.332 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.492 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 36.0 tp -60.02 -37.61 80.28 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 108.407 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 80.1 p -67.21 -37.52 83.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.408 -0.807 . . . . 0.0 109.739 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.03 -38.75 87.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.915 . . . . 0.0 109.266 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.06 -34.99 74.17 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.99 72.03 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.495 -0.753 . . . . 0.0 109.384 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.519 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 50.5 mttm -81.73 -13.33 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.177 -0.952 . . . . 0.0 109.195 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.8 80.64 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -74.78 -29.26 61.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.582 -0.952 . . . . 0.0 109.976 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 166' ' ' ILE . 17.8 mm -102.65 130.6 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.155 -0.966 . . . . 0.0 109.009 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.551 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.585 ' C ' ' H ' ' B' ' 130' ' ' ILE . 79.1 mt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.491 HD21 ' N ' ' B' ' 129' ' ' ASN . 2.1 m120 -75.54 19.41 0.19 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.585 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.3 tt -65.94 -41.03 89.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.52 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.5 m-20 -67.97 -41.21 82.73 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.304 -0.959 . . . . 0.0 109.095 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -70.05 -46.11 65.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.04 -43.93 94.05 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.429 ' CG ' ' CE1' ' A' ' 92' ' ' TYR . 2.1 tp60 -65.5 -42.04 92.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.705 -0.622 . . . . 0.0 109.949 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.496 ' O ' ' O ' ' B' ' 131' ' ' ASP . 48.5 t0 -168.56 166.02 12.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 109.847 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.455 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.9 mtt -61.4 -31.61 71.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.88 . . . . 0.0 110.145 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.473 ' OE1' ' OD2' ' B' ' 142' ' ' ASP . 99.4 mm-40 -60.54 126.11 26.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.053 -1.03 . . . . 0.0 110.089 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' OD2' ' B' ' 131' ' ' ASP . 59.9 t0 -67.54 -37.48 82.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.624 -0.673 . . . . 0.0 110.662 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -112.53 135.93 52.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.241 -0.912 . . . . 0.0 110.488 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 90.7 mtp -63.18 -37.95 89.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.445 -0.784 . . . . 0.0 109.296 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.9 mm? -58.94 -33.02 70.11 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . 0.473 ' OD2' ' OE1' ' B' ' 137' ' ' GLN . 54.9 t0 -58.24 -37.06 74.14 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.24 -37.52 83.36 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.77 -29.77 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.978 . . . . 0.0 108.952 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.29 -36.8 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.54 -36.28 75.84 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.64 83.24 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.06 -37.54 71.96 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.897 -1.355 . . . . 0.0 107.801 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.44 -34.69 71.11 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.2 tt -55.44 -45.17 76.85 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -39.7 84.79 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.465 -0.772 . . . . 0.0 109.328 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.541 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.84 -38.74 89.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.783 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 23.1 t -65.26 -50.78 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 0.0 110.364 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -66.53 -33.04 74.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.198 -0.939 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.11 98.3 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.33 -0.857 . . . . 0.0 109.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.618 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 43.8 mtt -66.55 -38.81 87.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.038 -1.039 . . . . 0.0 109.531 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 20.2 t-20 -60.8 -39.3 88.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.24 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.0 m-20 170.41 104.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.534 -0.729 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.34 -35.75 72.38 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.021 -1.05 . . . . 0.0 108.715 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.6 m -84.9 4.46 33.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.66 98.2 0.07 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -118.24 152.2 36.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.537 -0.978 . . . . 0.0 109.237 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.26 -33.12 62.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 0.0 109.165 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.03 -33.0 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.27 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -75.44 -24.73 57.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.582 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.5 mt -103.13 131.51 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.618 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 21.8 t -58.09 72.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.451 -0.78 . . . . 0.0 110.504 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.8 t0 -64.36 -36.87 85.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.52 -49.14 74.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.034 -1.041 . . . . 0.0 111.862 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -42.88 67.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.71 -1.244 . . . . 0.0 109.723 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.63 -38.7 91.25 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.638 -0.664 . . . . 0.0 110.491 -179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.4 m-20 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.132 -0.98 . . . . 0.0 110.153 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.65 82.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 109.793 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.519 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.4 mt-10 -66.42 -37.62 85.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.249 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 19.5 tp -67.18 -35.82 80.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.045 -1.035 . . . . 0.0 110.513 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.7 m-20 -62.07 -38.81 90.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.962 -1.086 . . . . 0.0 108.875 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.97 66.83 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 16.9 tp -65.55 -38.57 89.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.554 -0.716 . . . . 0.0 109.979 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.28 77.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.034 -1.041 . . . . 0.0 109.389 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.28 -36.62 80.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.42 -44.95 81.53 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.583 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 28.5 m-20 -76.26 -36.17 58.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.9 . . . . 0.0 110.364 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -78.34 172.35 13.74 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.41 118.51 36.83 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.402 -0.811 . . . . 0.0 108.958 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.42 140.46 25.49 Favored Pre-proline 0 C--N 1.299 -1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.136 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.492 1.396 0 C-N-CA 122.2 1.933 . . . . 0.0 112.178 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.45 77.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.89 . . . . 0.0 109.454 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.28 -35.12 74.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -60.08 -38.07 81.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.159 -0.963 . . . . 0.0 109.387 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.61 93.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.356 -0.84 . . . . 0.0 109.373 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.78 96.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.966 . . . . 0.0 109.74 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.71 -42.38 92.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.6 t -61.1 -39.98 84.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.02 -47.65 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 0.0 109.186 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.06 81.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.5 m -61.79 -38.66 88.9 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.019 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.37 -32.68 72.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.434 -0.791 . . . . 0.0 109.53 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.9 -41.78 96.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 109.626 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.13 -39.22 93.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.266 -0.896 . . . . 0.0 109.987 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.18 -39.34 89.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.921 -1.112 . . . . 0.0 109.083 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.78 -33.19 73.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.375 -0.828 . . . . 0.0 110.068 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.05 0.1 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.55 63.47 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -98.63 45.51 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.971 -1.311 . . . . 0.0 109.095 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.16 -34.24 52.85 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.59 -42.87 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.294 . . . . 0.0 109.173 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.29 -48.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.064 -1.023 . . . . 0.0 108.432 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.72 80.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.9 t80 -58.72 -47.69 83.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.334 -1.098 . . . . 0.0 109.637 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.3 m-85 -67.12 -34.93 78.66 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.226 -0.921 . . . . 0.0 109.622 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.66 -41.0 96.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 0.0 109.964 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.51 -39.75 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.001 -1.062 . . . . 0.0 108.793 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.84 -38.8 92.44 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 46.0 t80 -64.68 -43.07 94.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.672 -0.642 . . . . 0.0 110.292 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.16 86.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 110.164 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.89 -47.32 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.059 -1.026 . . . . 0.0 110.343 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.598 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -64.33 -32.37 73.95 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.931 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.14 -46.3 91.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.975 . . . . 0.0 109.725 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.39 -46.02 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.276 -0.89 . . . . 0.0 109.366 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.99 -37.08 86.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.399 -0.813 . . . . 0.0 109.678 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.3 p -68.17 -14.09 62.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.85 123.01 32.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.31 -36.89 84.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -84.76 125.79 32.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.252 -0.905 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -138.32 143.17 39.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.401 ' H ' ' HB2' ' A' ' 45' ' ' MET . 49.1 m -114.14 158.99 20.56 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -52.93 -34.66 56.36 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.8 -1.187 . . . . 0.0 108.59 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.26 -42.33 72.29 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.27 -0.894 . . . . 0.0 109.899 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.401 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -70.21 -40.56 74.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.979 -1.075 . . . . 0.0 109.772 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -61.56 -42.48 98.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.12 76.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -0.84 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.29 -40.55 96.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.14 -0.975 . . . . 0.0 109.668 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.92 89.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.47 -45.66 92.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.444 -0.785 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.58 -38.29 74.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.02 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.76 -39.5 81.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.061 -1.024 . . . . 0.0 109.235 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.36 -43.58 98.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.0 m -66.94 -46.31 75.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.791 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mt -61.31 -48.56 88.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.577 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.39 -37.98 89.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.107 -0.995 . . . . 0.0 108.95 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.69 76.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.2 t80 -65.24 -48.73 72.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.443 -0.786 . . . . 0.0 109.458 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.8 tttt -64.81 -41.19 95.98 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.295 -0.878 . . . . 0.0 109.042 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -63.08 -33.75 76.11 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.33 66.39 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 64.2 mt -123.96 5.61 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.436 -0.79 . . . . 0.0 110.008 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.89 -37.35 21.77 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.09 4.42 63.04 Favored Glycine 0 N--CA 1.49 2.249 0 O-C-N 121.153 -1.204 . . . . 0.0 110.446 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -35.98 80.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.722 -1.458 . . . . 0.0 108.733 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -141.48 -29.67 0.62 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.56 -30.99 71.72 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.56 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.13 -42.12 99.44 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.383 -0.823 . . . . 0.0 109.218 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.97 -39.08 11.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.165 -0.959 . . . . 0.0 108.72 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.12 -39.31 89.52 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.174 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 74' ' ' LYS . 3.5 t -133.43 -61.67 0.81 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.451 -0.78 . . . . 0.0 109.647 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ALA . 61.0 t0 61.95 -13.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.671 -0.643 . . . . 0.0 109.959 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 72' ' ' SER . 87.6 mttt -94.48 -79.69 0.42 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.965 -1.084 . . . . 0.0 109.001 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.5 p -68.29 -35.56 78.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 110.29 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.6 tp -67.92 -37.4 81.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.663 -1.273 . . . . 0.0 109.769 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.35 -44.74 95.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.0 109.346 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.88 -43.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.29 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.467 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.9 ttt -58.81 -38.54 78.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.689 ' ND2' ' NE2' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -60.75 -32.27 71.58 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 85' ' ' ASP . 15.6 m -57.37 -36.92 71.84 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.49 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 56.4 mt -59.44 -40.82 88.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 95.9 mt -80.27 -44.59 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 110.615 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.689 ' NE2' ' ND2' ' A' ' 80' ' ' ASN . 85.9 m-70 -70.05 -51.36 32.69 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.213 -0.929 . . . . 0.0 111.314 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' CG2' ' A' ' 81' ' ' THR . 83.7 m-20 -77.85 100.24 6.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.968 -1.083 . . . . 0.0 110.348 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.15 -37.26 86.83 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.513 -0.742 . . . . 0.0 109.533 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.11 -47.29 77.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.128 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.03 -41.27 95.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.013 -1.054 . . . . 0.0 108.952 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -63.51 -37.58 87.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -46.44 67.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.474 -0.766 . . . . 0.0 109.652 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.12 -47.14 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.201 -0.937 . . . . 0.0 109.497 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.472 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 56.2 t80 -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 109.269 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.2 tpt -62.68 -43.15 99.55 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.89 -44.28 90.14 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.409 HD21 ' HB3' ' B' ' 140' ' ' MET . 87.5 m-20 -62.99 -41.51 99.59 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.428 -0.795 . . . . 0.0 108.93 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.406 ' O ' ' OG ' ' A' ' 99' ' ' SER . 63.3 t80 -65.47 -49.78 67.78 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.4 m -63.33 -43.86 96.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.411 -0.806 . . . . 0.0 109.098 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.4 mmm -62.77 -37.12 85.41 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.315 -0.865 . . . . 0.0 109.735 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 96' ' ' PHE . 86.2 p -62.76 -45.27 93.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.237 -0.914 . . . . 0.0 109.247 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 42.4 tp -67.45 -41.12 85.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 108.697 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.1 -41.71 97.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.283 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.78 -40.4 97.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.0 109.902 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.77 -40.22 94.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.729 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 11.7 mmtt -63.38 -45.52 90.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.4 mt -68.42 -35.27 77.4 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.317 -0.864 . . . . 0.0 108.713 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 28.7 tttp -59.8 -43.95 94.22 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.63 -36.8 83.95 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.45 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.2 tp -60.33 -32.01 70.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.656 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 16.2 tttt -58.83 -41.0 85.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.5 -0.75 . . . . 0.0 110.145 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 34.9 m-20 -170.85 -23.67 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.98 157.54 1.78 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 142.16 97.07 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.834 2.356 . . . . 0.0 112.566 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -105.74 135.05 47.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.432 -0.792 . . . . 0.0 108.868 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -152.07 175.18 12.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.955 -1.091 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.32 -40.47 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -58.14 -38.73 77.11 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.907 -1.121 . . . . 0.0 108.598 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.6 tp -61.55 -40.19 93.81 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.42 -48.86 77.85 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.582 0.706 . . . . 0.0 109.47 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -69.02 -40.46 78.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.532 -0.73 . . . . 0.0 109.697 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 20.3 t -59.83 -40.01 87.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 0.0 109.711 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.277 -0.889 . . . . 0.0 109.422 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.482 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.5 m95 -61.17 -37.05 81.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.903 . . . . 0.0 109.253 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -42.88 92.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.486 -0.758 . . . . 0.0 109.86 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 31.0 m -62.19 -39.37 92.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.255 -0.903 . . . . 0.0 109.866 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.7 mt -58.1 -42.18 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.171 -0.956 . . . . 0.0 110.044 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.62 -40.92 96.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.13 -0.981 . . . . 0.0 109.804 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.33 -39.14 93.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 0.0 110.272 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -64.58 -43.11 94.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.506 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -65.21 -31.93 73.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.046 . . . . 0.0 110.062 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.438 ' HG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -69.16 -41.21 77.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.131 -0.981 . . . . 0.0 109.801 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 131' ' ' ILE . 99.0 mt -59.38 -43.94 91.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 110.321 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 136' ' ' LYS . 87.2 mt -69.67 -45.48 68.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.934 -1.104 . . . . 0.0 110.147 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.598 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 7.2 t60 -66.99 -45.35 77.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.363 -0.836 . . . . 0.0 111.065 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 92.3 mt -62.46 -30.62 71.38 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 111.456 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -138.41 56.48 1.72 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.791 -1.193 . . . . 0.0 111.287 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 132' ' ' LEU . 29.2 mtmm -62.27 -38.56 89.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.875 -1.141 . . . . 0.0 109.317 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -67.95 -28.54 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.496 -0.753 . . . . 0.0 111.436 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -91.93 0.23 57.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.681 -1.262 . . . . 0.0 110.6 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.433 ' CG2' ' HG1' ' A' ' 144' ' ' THR . 75.8 mt -117.84 126.72 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.286 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 160.09 33.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.2 -38.26 90.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.418 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 49.9 m -64.79 -45.37 86.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.418 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -63.35 -38.77 92.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.83 . . . . 0.0 109.39 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.433 ' HG1' ' CG2' ' A' ' 139' ' ' ILE . 45.5 m -61.63 -39.5 91.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.775 . . . . 0.0 109.449 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.72 -41.18 81.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.38 -0.825 . . . . 0.0 109.763 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.74 -40.82 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.939 . . . . 0.0 109.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.83 -41.26 92.03 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.379 -0.825 . . . . 0.0 109.656 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.13 -36.9 80.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.364 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.15 -40.24 95.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 108.956 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -61.32 -42.14 98.17 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.286 -0.884 . . . . 0.0 109.05 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.9 mt -66.61 -43.07 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 108.813 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.1 mmtt -60.83 -40.1 91.52 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 109.894 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -57.78 -43.5 85.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 8.3 m -65.99 -42.17 90.12 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.47 -44.01 89.14 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.336 -0.853 . . . . 0.0 109.689 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.63 -50.42 50.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.45 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.2 m-85 -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 110.479 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.482 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.8 -38.6 82.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.5 t -66.24 -42.66 88.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 109.4 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -61.23 -38.29 86.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.573 -0.704 . . . . 0.0 109.632 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.72 -42.8 97.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.241 -0.912 . . . . 0.0 109.816 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.13 -24.48 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.855 . . . . 0.0 109.793 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.587 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -83.74 -3.67 58.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.761 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.61 12.04 84.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.01 -29.06 60.75 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.188 -1.184 . . . . 0.0 109.931 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 22.2 mm -107.27 134.21 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.169 -0.957 . . . . 0.0 109.273 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.595 ' C ' ' H ' ' B' ' 130' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -74.69 20.26 0.13 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.595 ' H ' ' C ' ' B' ' 128' ' ' ILE . 21.0 tt -65.39 -42.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 87.1 m-20 -71.33 -42.4 68.62 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.364 -0.934 . . . . 0.0 108.816 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 135' ' ' ASP . 76.5 mttt -66.72 -44.94 80.26 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.693 0.759 . . . . 0.0 109.074 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.4 -46.31 83.84 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.741 0.782 . . . . 0.0 109.425 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.492 ' O ' ' OD1' ' B' ' 135' ' ' ASP . 0.5 OUTLIER -65.1 -42.19 94.26 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.912 -179.504 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' B' ' 134' ' ' GLN . 92.5 m-20 -140.38 157.65 45.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.251 -0.906 . . . . 0.0 109.711 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.94 -34.26 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -91.09 145.96 24.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.45 ' C ' ' OD1' ' B' ' 138' ' ' ASP . 52.4 p30 -85.91 174.56 9.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.36 -0.838 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.469 ' OE1' ' OD2' ' B' ' 142' ' ' ASP . 84.8 tt0 57.32 102.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.554 -0.717 . . . . 0.0 110.302 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.409 ' HB3' HD21 ' A' ' 95' ' ' ASN . 68.7 mtm -62.07 -35.44 78.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.834 . . . . 0.0 109.77 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -55.98 -35.92 67.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.127 -0.983 . . . . 0.0 109.177 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . 0.469 ' OD2' ' OE1' ' B' ' 139' ' ' GLU . 90.4 m-20 -59.52 -36.49 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 0.0 108.339 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.9 -35.45 66.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.52 -29.58 45.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.041 -1.037 . . . . 0.0 108.542 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.8 -38.75 70.37 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.25 -36.42 75.45 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.14 79.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -55.93 -39.18 71.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.035 -1.273 . . . . 0.0 107.879 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.3 tt0 -59.63 -34.16 72.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.423 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 5.6 tt -54.84 -45.2 74.46 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.02 -41.22 91.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.295 -0.878 . . . . 0.0 108.951 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -61.66 -37.64 84.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.709 -0.619 . . . . 0.0 109.695 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 40.5 t -65.06 -50.49 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 110.285 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.67 -33.47 75.72 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.109 -0.994 . . . . 0.0 109.281 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . 0.402 ' HB1' HD22 ' B' ' 159' ' ' ASN . . . -60.08 -42.34 94.36 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.371 -0.831 . . . . 0.0 109.41 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.656 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.3 mtp -65.79 -38.1 88.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 109.545 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.7 -39.17 87.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.97 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . 0.402 HD22 ' HB1' ' B' ' 155' ' ' ALA . 24.6 m120 -58.41 -35.27 71.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.15 -0.969 . . . . 0.0 109.144 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.8 p -82.2 2.25 32.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.25 0.07 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -119.64 153.0 36.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.539 -0.977 . . . . 0.0 109.3 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.404 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 7.0 mp -56.17 -34.21 65.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.37 -33.51 71.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -75.46 -22.4 57.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.585 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.4 mt -102.58 135.02 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.257 -0.902 . . . . 0.0 108.791 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' SER . . . . . 0.533 ' HG ' ' CD1' ' B' ' 171' ' ' LEU . 88.1 p -60.12 68.59 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.399 -0.813 . . . . 0.0 110.217 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.3 t0 -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 110.839 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.03 -48.89 76.8 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.971 -1.08 . . . . 0.0 111.287 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -43.05 67.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.901 -1.124 . . . . 0.0 109.784 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.533 ' CD1' ' HG ' ' B' ' 167' ' ' SER . 83.8 mt -62.9 -38.08 89.54 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.561 -0.712 . . . . 0.0 110.265 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.7 m-20 -60.57 -43.35 97.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.0 110.476 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.22 81.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 0.0 109.81 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.587 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -64.89 -36.72 85.28 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 110.144 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 21.1 tp -66.36 -35.79 81.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.959 -1.088 . . . . 0.0 110.613 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.8 m-20 -61.41 -37.6 84.07 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.501 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.05 73.69 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.29 -35.43 80.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.842 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.94 -41.64 71.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.903 -1.123 . . . . 0.0 108.318 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.86 -34.24 75.64 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.548 -0.72 . . . . 0.0 109.135 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.62 -40.85 96.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 110.785 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -93.63 -18.21 22.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.06 -1.025 . . . . 0.0 110.789 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -90.76 171.35 9.4 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.269 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.26 118.22 36.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -0.859 . . . . 0.0 109.313 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' B' ' 185' ' ' LEU . 8.0 mp -91.81 142.51 26.66 Favored Pre-proline 0 C--N 1.3 -1.563 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.088 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.332 2.022 . . . . 0.0 112.21 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.59 78.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -60.37 -35.95 76.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.42 -36.81 79.05 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.56 93.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.42 97.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.96 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -59.78 -44.91 93.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 0.0 109.102 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.7 t -61.39 -38.94 81.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.2 t -58.5 -45.25 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.175 -0.953 . . . . 0.0 109.102 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.95 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 108.839 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.8 m -62.65 -38.59 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.262 -0.899 . . . . 0.0 108.799 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -60.87 -31.81 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.436 -0.79 . . . . 0.0 109.184 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 0.0 109.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -63.99 -37.22 86.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.343 -0.848 . . . . 0.0 109.768 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.0 -42.23 98.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.092 -1.005 . . . . 0.0 108.676 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -60.98 -30.26 70.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.451 -0.781 . . . . 0.0 108.959 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG11 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.29 -12.12 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.88 64.17 Favored Glycine 0 N--CA 1.493 2.464 0 C-N-CA 119.903 -1.141 . . . . 0.0 110.498 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' H ' HG11 ' A' ' 18' ' ' VAL . 74.3 mt -94.38 62.11 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.953 -1.322 . . . . 0.0 109.397 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.32 71.24 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.48 -43.81 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -1.212 . . . . 0.0 109.494 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.91 -48.04 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.114 -0.992 . . . . 0.0 108.762 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.67 -32.3 78.19 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.036 -1.625 . . . . 0.0 109.036 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.642 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.1 t80 -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.425 -1.044 . . . . 0.0 109.707 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.9 m-85 -67.37 -35.93 80.32 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.975 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.22 -40.88 97.6 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.042 -1.036 . . . . 0.0 109.762 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.78 -39.22 90.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.07 -38.11 89.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.651 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 29.8 t80 -61.95 -47.04 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 109.944 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.15 82.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -0.901 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.46 -47.99 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 110.869 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 95.5 mt-10 -64.63 -32.3 73.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.136 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.6 mp -62.27 -44.63 96.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.078 -1.014 . . . . 0.0 109.775 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.0 mt -62.98 -47.19 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.245 -0.909 . . . . 0.0 109.512 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.0 -38.16 87.77 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.335 -0.853 . . . . 0.0 109.677 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -78.09 1.62 20.56 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.475 -0.765 . . . . 0.0 109.305 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.14 126.05 36.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.56 -36.62 83.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 0.0 109.702 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -98.19 125.85 43.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -133.33 142.25 48.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.11 159.53 19.93 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -52.25 -36.65 53.08 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.935 -1.103 . . . . 0.0 108.555 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.04 -41.73 77.27 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.316 -0.865 . . . . 0.0 110.061 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.409 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.0 mtp -70.97 -41.97 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.995 -1.066 . . . . 0.0 109.849 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -63.07 -43.6 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 0.0 109.549 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.2 79.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.431 -0.793 . . . . 0.0 109.786 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.32 -40.2 95.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.914 . . . . 0.0 109.729 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.38 90.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.508 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.38 -45.59 93.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.795 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -38.18 74.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.82 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.47 -37.68 88.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.92 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.66 -38.77 78.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.191 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.44 -43.77 98.01 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.27 -0.894 . . . . 0.0 109.333 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -68.27 -48.04 66.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.94 . . . . 0.0 109.674 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mt -59.77 -47.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.465 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.73 80.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.281 -0.887 . . . . 0.0 108.956 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.642 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.2 t80 -64.85 -48.7 73.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.821 . . . . 0.0 109.374 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.8 tttt -64.94 -39.93 94.25 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.411 -0.806 . . . . 0.0 109.183 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -63.04 -33.76 76.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.74 -31.06 67.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 69.3 mt -124.26 9.6 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.826 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.06 -37.51 45.79 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.14 64.93 Favored Glycine 0 N--CA 1.489 2.169 0 O-C-N 121.221 -1.164 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.81 -38.14 77.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.901 -1.352 . . . . 0.0 108.893 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.2 -29.58 0.89 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.49 -31.36 72.49 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.26 -42.93 99.77 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.226 -0.921 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.91 -38.81 23.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.189 -0.944 . . . . 0.0 108.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.69 -39.58 91.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.335 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.617 ' C ' ' H ' ' A' ' 74' ' ' LYS . 4.4 t -130.16 -60.64 1.01 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.923 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 69' ' ' ALA . 60.3 t0 62.7 -13.59 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.608 -0.683 . . . . 0.0 109.801 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.617 ' H ' ' C ' ' A' ' 72' ' ' SER . 29.4 mttt -95.67 -79.55 0.44 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.019 -1.05 . . . . 0.0 109.22 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -67.92 -36.39 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.345 -0.847 . . . . 0.0 110.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.4 tp -65.12 -35.47 81.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.66 -1.275 . . . . 0.0 109.185 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.3 t60 -60.29 -45.05 94.7 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.318 -0.864 . . . . 0.0 109.398 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -65.2 -42.89 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.445 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.472 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.7 ttt -58.25 -36.8 73.75 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.48 -32.19 71.17 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.591 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 21.1 m -57.17 -37.81 72.66 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 77.7 mt -60.36 -40.53 91.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.498 -0.751 . . . . 0.0 109.561 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.3 mt -86.16 -45.07 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.292 -0.88 . . . . 0.0 111.57 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.561 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 94.1 m-70 -76.23 -48.02 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 111.314 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -79.51 98.9 7.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.25 -36.45 84.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.435 -0.791 . . . . 0.0 109.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.97 -47.16 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.0 110.279 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -65.1 -42.06 94.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 109.164 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.06 89.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.704 ' NZ ' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.86 -46.71 78.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.504 -0.748 . . . . 0.0 109.864 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.57 -47.1 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.513 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.54 -41.53 92.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 109.196 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 tpt -62.32 -41.24 98.39 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.17 -42.15 98.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.497 ' ND2' ' CD1' ' B' ' 143' ' ' LEU . 40.8 t30 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.242 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.85 -50.03 72.55 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.048 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.1 m -64.37 -45.25 88.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.349 -0.844 . . . . 0.0 108.851 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.8 mmm -63.39 -38.18 90.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.345 -0.847 . . . . 0.0 109.703 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -61.37 -47.06 87.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.5 -44.34 82.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 108.488 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.94 -41.39 96.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.693 -0.63 . . . . 0.0 110.057 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -62.8 -37.52 87.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 110.387 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.67 -39.08 93.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.018 . . . . 0.0 110.327 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -62.57 -45.29 93.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 109.957 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.6 mt -67.8 -35.98 79.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.493 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -59.73 -43.5 94.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.1 mt-30 -65.61 -36.89 85.03 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -59.95 -33.9 72.54 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.505 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 62.1 tttt -59.42 -45.25 92.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.688 -0.632 . . . . 0.0 110.219 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 68.6 m-20 -160.84 -2.51 0.06 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.18 -0.95 . . . . 0.0 111.097 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -72.97 157.84 52.68 Favored Glycine 0 N--CA 1.493 2.465 0 O-C-N 120.662 -1.274 . . . . 0.0 109.935 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.9 140.75 74.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.738 2.292 . . . . 0.0 112.271 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -105.86 134.77 48.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.024 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -154.77 172.57 17.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.72 -38.24 50.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.674 -0.641 . . . . 0.0 109.6 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.62 -42.76 75.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.983 -1.073 . . . . 0.0 109.1 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.4 tp -62.58 -35.6 80.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.897 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.569 ' HZ1' ' CG ' ' B' ' 182' ' ' ASP . 85.5 tttt -57.82 -47.16 83.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.797 . . . . 0.0 110.213 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -68.11 -39.14 82.86 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.432 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 68.3 p -64.78 -35.31 80.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.081 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 120' ' ' SER . 77.6 mt -63.37 -40.79 98.22 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.593 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.469 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 45.7 m95 -62.34 -36.81 83.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.502 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.44 95.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.3 m -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.365 -0.835 . . . . 0.0 109.776 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.6 -42.18 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.31 -41.22 98.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.092 -1.005 . . . . 0.0 110.261 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.82 -38.75 89.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.562 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.56 -43.98 95.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.92 -36.57 81.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.076 -1.015 . . . . 0.0 110.009 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.651 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 93.0 m -65.38 -43.47 90.59 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.268 -0.895 . . . . 0.0 110.203 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.42 -42.51 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.071 -1.018 . . . . 0.0 110.348 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.82 -45.29 71.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.93 -1.106 . . . . 0.0 110.034 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.609 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.8 t60 -69.61 -38.55 77.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 110.626 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.99 -32.37 72.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 111.275 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -143.3 58.7 1.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.747 -1.22 . . . . 0.0 111.258 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.73 -37.79 85.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.162 . . . . 0.0 109.354 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -28.91 68.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.56 -0.713 . . . . 0.0 111.104 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.704 HD21 ' NZ ' ' A' ' 90' ' ' LYS . 10.3 t30 -92.06 0.32 57.47 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.825 -1.172 . . . . 0.0 110.385 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 139' ' ' ILE . 79.7 mt -117.87 127.08 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 109.27 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.73 160.04 33.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.256 -0.903 . . . . 0.0 109.37 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.01 -38.49 91.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.952 . . . . 0.0 109.399 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.8 m -65.3 -45.12 85.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.464 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -63.06 -38.62 91.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 109.446 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.4 m -61.48 -39.92 92.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.19 -38.82 77.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 21.8 m -61.78 -41.47 97.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.159 -0.963 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.404 ' HA ' HH11 ' A' ' 150' ' ' ARG . 83.8 mt -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.46 -0.775 . . . . 0.0 109.628 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.76 -36.83 79.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.464 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 19.0 tttp -61.97 -41.06 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.93 . . . . 0.0 109.028 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 146' ' ' SER . 68.5 mtt85 -61.04 -41.91 97.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.032 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.9 mt -65.42 -43.93 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.8 mmtt -61.25 -39.14 89.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.617 -0.677 . . . . 0.0 109.763 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.53 -43.67 89.28 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.319 -0.863 . . . . 0.0 108.707 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.4 m -66.53 -41.28 89.0 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -58.85 -44.02 90.91 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.427 -0.795 . . . . 0.0 109.706 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.401 HG23 HD13 ' A' ' 156' ' ' ILE . 89.5 mt -69.5 -50.2 53.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 110.492 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.439 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 2.1 m-85 -66.6 -35.89 81.28 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 110.167 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.469 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -60.11 -39.5 86.4 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.103 -0.998 . . . . 0.0 108.734 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.6 t -66.96 -45.45 77.69 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.264 -0.898 . . . . 0.0 109.553 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -60.88 -38.2 84.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.751 . . . . 0.0 109.437 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.7 -36.78 85.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.35 -0.844 . . . . 0.0 109.373 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -69.65 -30.89 68.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.434 -0.791 . . . . 0.0 110.837 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.411 ' HZ2' HD21 ' B' ' 171' ' ' LEU . 49.1 mtmt -86.17 -1.77 57.74 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.845 -1.16 . . . . 0.0 110.206 -179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.99 16.06 79.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -74.36 -28.24 61.04 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.186 -1.185 . . . . 0.0 109.227 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 22.3 mm -107.29 133.35 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.352 -0.843 . . . . 0.0 109.197 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.567 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.618 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.3 mt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.54 ' C ' HD21 ' B' ' 129' ' ' ASN . 0.0 OUTLIER -73.98 20.0 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.618 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.7 tt -62.39 -44.19 98.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.466 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 86.5 m-20 -76.4 -40.36 51.06 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.76 -36.83 85.18 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.462 0.648 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.89 -47.22 85.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.433 -0.792 . . . . 0.0 109.226 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -43.94 78.67 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.093 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' B' ' 136' ' ' MET . 50.6 t0 -175.08 165.3 3.42 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.427 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 51.2 ttm -69.66 85.66 0.46 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.95 -1.094 . . . . 0.0 108.748 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -133.6 159.61 39.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.389 -0.819 . . . . 0.0 109.947 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' B' ' 138' ' ' ASP . 54.1 p30 -88.39 -158.06 0.46 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.338 -0.851 . . . . 0.0 109.445 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -53.63 144.43 17.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.219 -0.926 . . . . 0.0 109.53 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' B' ' 140' ' ' MET . 3.7 mpp? -59.55 -40.63 87.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.313 -0.867 . . . . 0.0 109.746 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.33 -37.22 84.79 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.231 -0.918 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.12 -38.72 83.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.195 -0.941 . . . . 0.0 108.815 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.497 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 20.0 mt -58.76 -30.98 67.93 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 147' ' ' GLY . 52.0 mt -67.83 -30.19 47.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 120.928 -1.108 . . . . 0.0 108.018 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.7 -38.94 70.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.99 -35.7 73.67 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' B' ' 144' ' ' ILE . . . -61.24 -31.45 77.06 Favored Glycine 0 N--CA 1.484 1.835 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.61 -37.92 68.78 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.726 -1.456 . . . . 0.0 107.325 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.35 -34.17 74.84 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' B' ' 150' ' ' LEU . 3.3 tm? -54.94 -43.93 73.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.85 -40.08 91.53 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.364 -0.835 . . . . 0.0 109.119 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.544 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 9.9 tm-20 -62.42 -39.52 93.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.688 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' B' ' 152' ' ' GLU . 81.1 t -64.81 -49.88 77.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.483 -0.76 . . . . 0.0 110.253 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -33.12 74.97 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.137 -0.977 . . . . 0.0 109.085 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.98 99.56 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.267 -0.895 . . . . 0.0 109.557 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.544 ' CE ' ' OE2' ' B' ' 152' ' ' GLU . 44.4 mtt -65.26 -37.6 87.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.044 -1.035 . . . . 0.0 109.628 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.49 -38.66 85.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.9 m-20 170.98 104.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.502 -0.748 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -58.3 -35.56 72.01 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 108.799 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 43.4 p -85.22 3.04 41.19 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.49 97.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -121.73 153.0 38.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.519 -0.989 . . . . 0.0 109.126 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 6.9 mp -55.54 -34.51 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.087 -1.008 . . . . 0.0 109.171 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.56 -33.65 71.69 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.364 -0.835 . . . . 0.0 109.406 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.43 -24.33 57.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.638 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.6 mt -101.55 134.38 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.221 -0.924 . . . . 0.0 108.755 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.2 m -58.78 71.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.41 -0.806 . . . . 0.0 110.281 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.9 t0 -66.14 -38.56 88.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.06 76.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.051 . . . . 0.0 111.41 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.66 -44.13 64.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.94 -1.1 . . . . 0.0 109.73 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.411 HD21 ' HZ2' ' A' ' 163' ' ' LYS . 96.8 mt -62.1 -38.43 88.83 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.647 -0.658 . . . . 0.0 110.462 -179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.8 m-20 -61.12 -43.42 98.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.0 110.352 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.26 82.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.032 . . . . 0.0 109.791 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.5 mt-10 -65.35 -37.62 87.61 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.7 tp -66.42 -36.7 83.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.97 -1.081 . . . . 0.0 110.69 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.0 m-20 -61.98 -36.86 82.74 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.97 -1.081 . . . . 0.0 108.507 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.32 68.81 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.272 -0.893 . . . . 0.0 108.68 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.69 -38.01 83.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.454 -0.778 . . . . 0.0 110.35 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.63 78.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.127 -0.983 . . . . 0.0 109.275 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.32 -36.13 81.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.429 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -70.12 -47.59 61.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 0.0 110.445 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.569 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 24.9 m-20 -68.58 -37.56 79.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -82.28 171.25 14.45 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.39 -0.818 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.29 117.64 34.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.367 -0.833 . . . . 0.0 109.384 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 5.9 mp -91.66 140.25 25.12 Favored Pre-proline 0 C--N 1.299 -1.588 0 O-C-N 121.351 -0.843 . . . . 0.0 109.075 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo . . . . . 0 N--CA 1.491 1.33 0 C-N-CA 122.256 1.971 . . . . 0.0 112.205 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.68 -35.54 78.29 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 109.499 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.2 -35.49 75.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 109.554 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.17 -38.0 81.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.4 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.65 93.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.0 109.437 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.15 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.202 -0.937 . . . . 0.0 109.687 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' A' ' 126' ' ' ASP . 9.2 ttm180 -59.84 -44.0 94.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.279 -0.888 . . . . 0.0 109.145 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -61.69 -39.54 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.8 -44.86 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.88 92.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.274 -0.891 . . . . 0.0 108.691 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m -62.02 -38.55 89.12 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.483 -0.761 . . . . 0.0 109.214 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.5 84.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.316 -0.865 . . . . 0.0 109.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -30.72 70.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 0.0 109.126 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.56 -41.31 94.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -63.99 -37.1 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.588 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -42.21 97.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.15 -0.968 . . . . 0.0 108.675 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -61.04 -30.43 70.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.47 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.502 -0.749 . . . . 0.0 109.726 -179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 4.93 63.19 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.475 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' H ' HG13 ' A' ' 18' ' ' VAL . 78.7 mt -95.93 69.35 2.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.977 -1.307 . . . . 0.0 109.197 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.65 -35.76 92.45 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.5 mt -57.86 -43.24 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.295 . . . . 0.0 109.876 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.25 -48.92 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.008 -1.057 . . . . 0.0 108.645 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.11 -32.28 79.86 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.8 t80 -58.46 -49.41 77.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.4 m-85 -67.51 -36.24 80.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.173 -0.954 . . . . 0.0 110.244 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.0 -41.77 97.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.016 -1.053 . . . . 0.0 110.345 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -39.86 92.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 108.969 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.47 -38.56 91.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.794 . . . . 0.0 109.161 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 34.9 t80 -62.76 -42.56 99.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.682 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.72 88.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.08 -1.012 . . . . 0.0 110.408 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.1 -47.28 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.063 -1.023 . . . . 0.0 110.488 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.4 mt-10 -63.39 -31.17 72.25 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.068 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -60.41 -48.08 83.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.48 -43.12 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.204 -0.935 . . . . 0.0 109.448 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.75 -39.03 92.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.692 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -78.96 1.61 23.16 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.511 -0.743 . . . . 0.0 109.106 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.2 127.46 41.27 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.43 -36.24 82.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.235 -0.916 . . . . 0.0 109.654 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.84 125.92 42.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.286 -0.884 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -131.78 144.07 50.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.429 -0.794 . . . . 0.0 109.523 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -114.03 158.44 21.19 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -52.12 -34.75 45.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.938 -1.101 . . . . 0.0 108.365 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.74 -45.13 79.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.961 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 90.2 mmm -74.63 -41.98 59.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.825 -1.172 . . . . 0.0 109.594 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.5 m -61.66 -45.11 95.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 109.349 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.42 72.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.479 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.64 -40.09 95.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.62 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.93 94.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.232 -0.917 . . . . 0.0 109.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.13 -45.88 91.54 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.296 -0.877 . . . . 0.0 110.19 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.15 -38.23 79.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.9 . . . . 0.0 109.67 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.78 -36.94 85.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -58.41 -39.54 80.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.043 . . . . 0.0 109.22 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.27 -42.6 99.48 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.357 -0.839 . . . . 0.0 109.403 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 m -64.58 -44.5 90.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.341 -0.85 . . . . 0.0 109.741 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.46 -51.26 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.123 -0.986 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -38.82 90.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.29 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 109.225 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.6 t80 -65.51 -48.17 73.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 109.676 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 64' ' ' GLY . 28.4 tttt -60.69 -35.04 75.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.203 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.05 -34.66 78.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.075 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.3 -31.46 70.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.237 -0.914 . . . . 0.0 109.259 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.28 8.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.448 -0.782 . . . . 0.0 109.581 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.93 -37.82 45.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.37 3.87 66.72 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -36.73 81.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.992 -1.299 . . . . 0.0 108.992 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.99 -29.85 0.89 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.64 -32.21 73.62 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.04 -39.98 96.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.425 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.99 -39.82 42.29 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.202 -0.936 . . . . 0.0 108.844 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.19 -38.5 83.46 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.279 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.644 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -134.49 -60.26 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.849 . . . . 0.0 110.159 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 69' ' ' ALA . 56.0 t0 59.64 -6.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.523 -0.736 . . . . 0.0 109.181 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.644 ' H ' ' C ' ' A' ' 72' ' ' SER . 19.1 ttpp -100.16 -81.21 0.47 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.191 -0.943 . . . . 0.0 108.885 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -68.06 -35.29 77.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.416 -0.802 . . . . 0.0 109.833 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.0 tp -67.49 -35.4 79.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.925 -1.109 . . . . 0.0 109.479 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.485 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.4 t60 -60.24 -45.13 94.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -63.7 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.066 -1.021 . . . . 0.0 108.531 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.457 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 7.2 ttt -58.54 -36.42 73.86 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.49 -32.72 71.7 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.593 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 27.6 m -56.78 -37.65 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 56.4 mt -60.02 -40.24 88.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.473 -0.767 . . . . 0.0 109.495 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.4 -45.62 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.207 -0.933 . . . . 0.0 110.986 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.582 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.9 m-70 -74.0 -47.04 39.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 111.108 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -83.41 100.92 11.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.856 -1.153 . . . . 0.0 109.897 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -64.61 -35.51 81.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.279 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.47 -48.14 80.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.156 -0.965 . . . . 0.0 110.609 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.629 ' HZ1' ' CD1' ' B' ' 130' ' ' ILE . 57.1 tttm -65.56 -39.76 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.066 -1.021 . . . . 0.0 109.153 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.472 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -62.29 -37.75 86.75 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.453 -0.779 . . . . 0.0 108.948 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -46.53 68.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.399 -0.813 . . . . 0.0 109.451 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.68 -46.16 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.171 -0.956 . . . . 0.0 109.809 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -65.01 -42.84 94.06 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.095 -1.003 . . . . 0.0 109.483 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.36 -40.85 97.78 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.981 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.21 -42.77 96.47 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.359 -0.838 . . . . 0.0 108.866 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.474 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.1 m120 -63.17 -40.74 98.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.01 -49.86 66.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.914 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.9 m -62.72 -44.44 96.21 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.394 -0.816 . . . . 0.0 109.01 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.3 mmm -63.08 -38.27 90.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 109.628 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.5 m -62.06 -46.23 90.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.234 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.76 -44.86 80.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -61.18 -43.07 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.659 -0.651 . . . . 0.0 109.666 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 -61.73 -38.57 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.5 -40.01 95.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 110.282 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.601 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 26.6 mmtt -64.94 -45.66 84.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.058 -1.026 . . . . 0.0 110.039 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.71 -36.09 79.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 108.534 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -60.02 -44.5 94.55 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.3 -36.87 85.41 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.2 tp -58.5 -33.51 69.9 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.654 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 64.2 tttt -59.36 -38.93 81.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.709 -0.619 . . . . 0.0 110.08 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.6 m-20 -168.42 -20.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.64 157.81 5.11 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.75 140.55 74.7 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.922 2.415 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 167' ' ' GLY . 3.0 m-90 -106.38 137.61 44.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -154.33 172.23 18.0 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.937 -1.102 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.47 -39.13 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.677 -0.639 . . . . 0.0 109.292 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.6 ttp -56.41 -42.36 77.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.742 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.27 -36.73 82.96 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.313 -0.867 . . . . 0.0 109.019 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.71 -48.11 80.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.094 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -67.61 -38.87 84.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.383 -0.823 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.601 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.3 t -61.98 -38.88 90.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.08 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.41 -39.71 91.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.975 -1.078 . . . . 0.0 109.032 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.463 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 53.9 m95 -61.77 -38.38 87.79 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.413 -0.804 . . . . 0.0 109.188 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -41.84 95.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.494 -0.754 . . . . 0.0 109.659 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 50.5 m -61.81 -39.98 93.63 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.739 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.54 -42.57 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.013 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.588 ' OD1' ' NH1' ' A' ' 7' ' ' ARG . 92.1 m-20 -62.35 -41.11 98.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.989 . . . . 0.0 110.359 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.32 -40.65 95.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 0.0 110.648 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -63.92 -42.82 97.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.866 -1.146 . . . . 0.0 110.311 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.79 -36.45 81.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.026 . . . . 0.0 109.907 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.41 ' SG ' ' CD1' ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.0 -41.68 81.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.796 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.35 -42.34 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 110.468 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.23 -45.29 70.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.006 -1.059 . . . . 0.0 110.337 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.585 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -66.97 -43.44 83.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.404 -0.81 . . . . 0.0 111.208 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.41 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 mt -61.18 -31.79 71.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -139.74 56.33 1.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.723 -1.236 . . . . 0.0 111.281 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -62.17 -38.43 89.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.916 -1.115 . . . . 0.0 109.38 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.02 -28.69 68.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.482 -0.762 . . . . 0.0 111.192 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -91.87 1.02 57.45 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.5 mt -117.64 125.92 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 109.136 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 160.03 33.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -63.82 -38.9 92.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.5 m -65.62 -45.42 83.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.3 m -62.73 -38.62 91.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.359 -0.838 . . . . 0.0 109.272 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.6 m -61.4 -39.47 90.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.458 -0.776 . . . . 0.0 109.349 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.75 -38.97 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.578 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 m -61.85 -41.39 97.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.17 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.407 ' HA ' HH11 ' A' ' 150' ' ' ARG . 87.2 mt -66.7 -40.98 88.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.378 -0.826 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.84 -37.35 81.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.435 -0.791 . . . . 0.0 109.435 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -62.26 -41.56 98.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.961 . . . . 0.0 108.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.7 mtt85 -61.47 -41.84 97.87 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.403 -0.811 . . . . 0.0 108.974 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.48 -43.33 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.578 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.2 mmtt -61.25 -39.78 91.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -57.18 -43.66 82.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.367 -0.833 . . . . 0.0 108.849 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.81 -42.19 86.31 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.259 -0.9 . . . . 0.0 108.754 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -59.03 -43.46 91.62 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.2 -49.16 64.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 O-C-N 120.89 -1.131 . . . . 0.0 110.696 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -65.92 -35.55 80.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.987 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.463 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 32.5 tp -59.85 -36.02 75.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.817 -1.177 . . . . 0.0 108.414 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.457 ' N ' HD23 ' B' ' 175' ' ' LEU . 0.1 OUTLIER -70.29 -39.14 75.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 109.531 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.08 -39.34 85.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.3 mt -59.62 -36.32 76.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 108.557 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.03 70.26 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.457 -0.777 . . . . 0.0 109.409 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.429 ' HZ3' ' CD ' ' B' ' 174' ' ' GLU . 43.3 mttm -80.35 -16.03 55.49 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.231 -0.918 . . . . 0.0 109.385 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.99 81.79 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 108.404 -1.879 . . . . 0.0 108.404 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.61 -28.41 60.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.558 -0.966 . . . . 0.0 109.844 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.0 131.59 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.175 -0.953 . . . . 0.0 108.93 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.57 ' O ' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.093 0 CA-C-O 117.916 -1.491 . . . . 0.0 109.646 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.551 ' C ' ' H ' ' B' ' 130' ' ' ILE . 80.2 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.421 ' N ' HD21 ' B' ' 129' ' ' ASN . 2.8 m120 -75.83 20.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.629 ' CD1' ' HZ1' ' A' ' 88' ' ' LYS . 19.8 tt -64.81 -41.72 92.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.502 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 83.1 m-20 -74.87 -41.63 59.43 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.96 -39.46 87.25 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.481 0.658 . . . . 0.0 109.824 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.13 -48.15 79.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.529 -0.732 . . . . 0.0 110.558 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.402 HE22 HD22 ' A' ' 82' ' ' LEU . 50.7 mt-30 -73.37 -39.08 65.43 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.589 -0.694 . . . . 0.0 110.474 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' B' ' 136' ' ' MET . 56.5 t0 -150.41 151.0 32.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 109.792 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.43 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 96.4 mmm -59.17 -30.96 68.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.357 -0.839 . . . . 0.0 109.631 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -54.61 142.7 27.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.55 -40.47 97.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.475 -0.766 . . . . 0.0 111.814 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -132.94 149.49 52.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.959 -1.088 . . . . 0.0 111.541 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.418 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm -63.63 -37.06 85.92 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.951 0.881 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.6 -32.45 65.28 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.2 -35.72 72.05 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.13 -34.04 71.59 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.12 -30.55 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.26 -0.9 . . . . 0.0 108.937 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.06 -36.68 75.46 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.15 -35.99 74.49 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.05 82.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -55.83 -38.88 70.62 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.854 -1.38 . . . . 0.0 107.747 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -61.09 -33.95 74.16 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.26 -41.75 72.63 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.286 -0.884 . . . . 0.0 108.778 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.76 -42.1 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.1 tm-20 -63.26 -40.25 96.89 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 93.1 t -65.4 -49.41 78.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.404 -0.81 . . . . 0.0 110.158 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -33.23 75.2 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.012 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.76 97.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.355 -0.84 . . . . 0.0 109.715 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.654 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -63.36 -39.0 93.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.509 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.2 t-20 -60.74 -38.02 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 109.236 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 0.7 OUTLIER 167.42 106.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.474 -0.766 . . . . 0.0 109.105 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.04 -35.35 71.18 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.193 -0.942 . . . . 0.0 108.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.4 p -83.09 2.93 32.73 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.89 0.06 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -123.72 153.53 40.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.584 -0.951 . . . . 0.0 109.062 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 7.1 mp -54.65 -36.37 64.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.107 -0.996 . . . . 0.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.95 -32.92 71.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.903 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 -27.51 59.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 110.246 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 52.2 mt -98.36 135.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 108.896 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' SER . . . . . 0.525 ' O ' ' CD1' ' B' ' 171' ' ' LEU . 23.1 m -57.04 74.85 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.1 t0 -63.85 -36.47 84.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.793 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.01 76.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.121 -0.987 . . . . 0.0 111.62 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . 0.421 ' CD ' ' HZ2' ' A' ' 163' ' ' LYS . 67.2 tt0 -71.54 -44.65 64.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.789 -1.195 . . . . 0.0 109.706 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.525 ' CD1' ' O ' ' B' ' 167' ' ' SER . 15.1 mt -61.26 -38.53 87.05 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.704 -0.623 . . . . 0.0 110.021 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.578 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 96.4 m-20 -65.45 -43.22 91.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 110.63 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.03 82.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.189 -0.944 . . . . 0.0 110.401 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.429 ' CD ' ' HZ3' ' A' ' 163' ' ' LYS . 97.7 mt-10 -66.03 -30.16 70.64 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 109.757 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -65.52 -42.86 91.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 110.674 -179.423 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -63.32 -42.96 99.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.948 -1.095 . . . . 0.0 109.126 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.78 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.101 -0.999 . . . . 0.0 108.834 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.88 -37.51 84.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.403 -0.811 . . . . 0.0 109.577 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.77 -40.33 79.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.122 -0.986 . . . . 0.0 108.624 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.99 -31.83 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.528 -0.733 . . . . 0.0 109.249 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.58 -43.22 99.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.315 -0.866 . . . . 0.0 110.575 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -93.36 -27.99 16.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.019 -1.051 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.82 172.24 12.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.39 118.52 36.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.317 -0.864 . . . . 0.0 109.318 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.7 139.87 24.98 Favored Pre-proline 0 C--N 1.299 -1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 109.178 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.492 1.396 0 C-N-CA 122.158 1.905 . . . . 0.0 112.214 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.75 80.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.291 -0.881 . . . . 0.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -60.66 -37.08 80.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.898 . . . . 0.0 109.342 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -60.29 -38.28 83.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.56 93.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.37 88.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.976 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.506 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 49.1 ttt-85 -59.79 -40.83 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.221 -0.925 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.66 -40.01 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.25 -47.49 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 109.137 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -41.37 80.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.874 . . . . 0.0 108.655 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 63.5 m -61.95 -38.88 90.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.86 -39.68 78.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.19 -30.89 70.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.042 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -60.63 -40.75 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.432 -0.793 . . . . 0.0 109.497 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -63.61 -38.42 91.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.367 -0.833 . . . . 0.0 109.5 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.93 -39.75 90.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.091 -1.006 . . . . 0.0 108.964 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.54 -32.67 71.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 0.0 109.262 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 HG13 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.75 -7.94 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.326 -0.859 . . . . 0.0 109.762 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.88 4.99 63.03 Favored Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.45 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' HG13 ' A' ' 18' ' ' VAL . 59.4 mt -94.1 57.62 2.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.102 -1.234 . . . . 0.0 109.342 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.15 -33.46 69.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mm -57.95 -43.44 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.246 . . . . 0.0 109.552 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.9 mm -67.65 -47.9 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.011 -1.055 . . . . 0.0 108.866 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.56 80.71 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 86.3 t80 -58.68 -48.11 82.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.369 -1.077 . . . . 0.0 109.895 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 31.3 m-85 -67.3 -35.77 80.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.195 -0.941 . . . . 0.0 109.988 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.94 -40.6 96.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.055 -1.028 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.08 -40.17 92.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.989 -1.069 . . . . 0.0 108.875 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.5 -39.25 93.44 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 47.9 t80 -64.79 -43.84 91.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.543 -0.723 . . . . 0.0 110.344 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.88 85.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 110.286 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.33 -48.06 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.475 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.603 ' CB ' ' HE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -64.57 -31.81 73.19 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.801 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.45 -47.15 87.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.24 -0.912 . . . . 0.0 109.834 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.71 -46.23 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.66 -37.79 88.66 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.407 -0.808 . . . . 0.0 109.5 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -68.39 -13.52 62.34 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -86.71 124.24 32.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.542 -0.724 . . . . 0.0 109.44 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.85 -36.16 81.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.846 . . . . 0.0 109.801 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -89.56 125.72 35.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -137.66 142.15 41.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -110.16 158.22 18.57 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.55 55.63 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.863 -1.148 . . . . 0.0 108.389 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.26 -41.84 72.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.379 -0.825 . . . . 0.0 109.782 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.7 mtp -70.91 -40.89 71.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.806 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -62.53 -42.4 99.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.559 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.34 -33.88 76.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.26 -39.97 94.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.304 -0.872 . . . . 0.0 109.763 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.13 90.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 m -60.38 -45.65 92.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.412 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.18 -38.32 76.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.1 -38.37 90.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.154 -0.966 . . . . 0.0 109.938 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.76 -39.59 81.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.95 -43.06 99.82 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.28 -0.888 . . . . 0.0 109.279 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -66.88 -46.7 74.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.709 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 mt -60.08 -48.73 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.401 -0.812 . . . . 0.0 109.334 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.12 -39.36 94.47 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 108.994 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.51 81.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.849 . . . . 0.0 108.952 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -65.08 -48.69 72.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.817 . . . . 0.0 109.514 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 43.1 tttt -64.2 -39.56 94.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.023 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -63.15 -33.66 75.95 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.79 -31.45 68.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.757 . . . . 0.0 109.038 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 74.2 mt -123.77 9.43 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.523 -0.736 . . . . 0.0 109.763 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.49 -37.8 61.39 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.68 2.96 64.73 Favored Glycine 0 N--CA 1.489 2.206 0 O-C-N 121.196 -1.179 . . . . 0.0 110.163 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.11 -36.94 81.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.005 -1.291 . . . . 0.0 109.026 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.92 -29.64 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.63 -30.44 71.55 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.18 83.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.461 -0.774 . . . . 0.0 109.366 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.73 -43.49 85.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.015 -1.053 . . . . 0.0 108.449 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -64.8 -38.69 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 t -158.76 98.72 1.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 60.7 t0 -98.09 7.2 46.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.58 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -97.7 -75.79 0.54 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.07 -39.69 86.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.371 -0.831 . . . . 0.0 111.325 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 tp -67.4 -35.71 79.83 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.798 -1.189 . . . . 0.0 109.998 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 52.3 t-80 -59.46 -45.2 92.29 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.97 . . . . 0.0 109.53 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.8 -42.15 94.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 108.636 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.454 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 ttt -58.32 -36.53 73.52 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.82 71.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.8 -37.52 71.29 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 65.6 mt -60.19 -40.64 90.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.488 -0.758 . . . . 0.0 109.477 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.1 mt -86.07 -45.4 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.206 -0.934 . . . . 0.0 111.284 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -74.17 -47.72 33.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 111.26 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -81.26 101.32 9.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 0.0 109.636 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.6 -37.06 86.25 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -47.69 84.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.948 . . . . 0.0 110.44 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.617 ' HZ1' ' CD1' ' B' ' 130' ' ' ILE . 59.1 tttm -66.04 -43.01 88.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 109.166 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.95 89.32 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' HE2' HD21 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.13 -45.2 75.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.503 -0.748 . . . . 0.0 110.159 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.21 -41.75 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.042 . . . . 0.0 109.37 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.587 ' CE2' ' OE1' ' B' ' 134' ' ' GLN . 63.0 t80 -64.26 -42.95 96.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.255 -0.903 . . . . 0.0 109.737 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.62 -40.43 96.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 109.784 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.86 -40.14 91.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.493 ' O ' ' OG ' ' A' ' 99' ' ' SER . 1.2 t30 -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 109.686 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.93 -47.78 81.79 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.301 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.8 m -63.23 -46.12 88.44 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.1 mmm -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.191 -0.943 . . . . 0.0 109.634 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 40.2 m -61.18 -46.15 91.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.148 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.508 ' CD1' ' NZ ' ' A' ' 104' ' ' LYS . 59.8 tp -66.72 -44.69 80.92 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.458 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 72.4 t80 -61.36 -42.57 98.91 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.657 -0.652 . . . . 0.0 109.496 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.0 -38.39 85.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 0.0 109.642 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -42.05 99.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.277 -0.889 . . . . 0.0 109.902 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.508 ' NZ ' ' CD1' ' A' ' 100' ' ' LEU . 14.3 mmtm -63.53 -45.07 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.928 . . . . 0.0 109.587 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' CD1' ' CE2' ' A' ' 101' ' ' TYR . 61.4 mt -65.74 -36.99 85.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.25 -0.906 . . . . 0.0 108.844 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -61.32 -46.04 91.92 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.1 mm-40 -63.01 -36.68 84.35 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.444 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 8.8 tp -58.86 -32.93 69.9 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 15.5 tttt -58.91 -40.6 85.0 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.659 -0.651 . . . . 0.0 110.081 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.27 -8.46 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.986 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -64.58 157.42 44.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -62.9 139.39 73.77 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.782 2.321 . . . . 0.0 112.368 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -105.95 134.56 48.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.412 -0.805 . . . . 0.0 108.873 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -154.47 173.1 16.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.042 -1.037 . . . . 0.0 110.513 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.2 t -55.67 -38.26 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.717 -0.614 . . . . 0.0 109.486 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.17 -42.69 77.45 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.888 -1.132 . . . . 0.0 108.939 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.44 -36.47 82.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.279 -0.888 . . . . 0.0 109.002 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.594 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 83.9 tttt -57.49 -47.39 82.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.426 -0.796 . . . . 0.0 110.255 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -67.41 -39.2 85.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.375 -0.828 . . . . 0.0 110.002 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.48 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 84.1 p -65.44 -35.04 79.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.48 ' N ' ' HG ' ' A' ' 120' ' ' SER . 76.0 mt -63.32 -41.02 98.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.48 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 51.0 m95 -63.18 -36.54 83.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.889 . . . . 0.0 108.858 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -41.99 98.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.572 -0.705 . . . . 0.0 109.754 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -39.99 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.6 mt -57.7 -42.38 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.979 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.46 -40.51 94.76 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.197 -0.939 . . . . 0.0 109.847 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.18 -39.28 94.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.274 -0.891 . . . . 0.0 110.417 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -64.6 -42.82 95.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.047 -1.033 . . . . 0.0 110.524 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -65.04 -31.68 73.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 109.995 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -69.1 -41.91 76.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.136 -0.977 . . . . 0.0 109.774 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.417 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 93.5 mt -59.47 -45.29 93.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.062 -1.024 . . . . 0.0 110.137 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.48 -44.12 68.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.096 -1.003 . . . . 0.0 110.205 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.603 ' HE2' ' CB ' ' A' ' 33' ' ' GLU . 12.1 t60 -67.58 -45.15 76.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.468 -0.77 . . . . 0.0 111.154 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.413 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 88.6 mt -61.43 -33.01 73.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.2 -0.937 . . . . 0.0 111.414 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -136.41 57.75 1.76 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -62.06 -39.44 92.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.994 -1.066 . . . . 0.0 109.463 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.68 -27.55 65.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.434 -0.791 . . . . 0.0 111.759 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.401 HD21 ' HE2' ' A' ' 90' ' ' LYS . 9.3 t30 -92.01 2.47 56.53 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.622 -1.299 . . . . 0.0 110.91 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 74.4 mt -116.88 129.65 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.185 -0.947 . . . . 0.0 109.17 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.6 159.73 33.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 0.0 109.679 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.16 -38.97 92.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.356 -0.84 . . . . 0.0 109.734 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.4 m -63.92 -45.77 87.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.451 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.6 t -63.19 -37.32 86.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.343 -0.848 . . . . 0.0 109.22 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 39.5 m -60.35 -41.42 93.61 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.71 -39.52 81.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.859 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.535 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 t -62.0 -43.22 99.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.412 ' HA ' HH11 ' A' ' 150' ' ' ARG . 84.8 mt -65.86 -41.36 91.74 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.413 -0.804 . . . . 0.0 109.948 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.09 -37.19 81.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.35 -41.06 98.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.179 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.8 mtt85 -61.14 -41.72 97.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 109.152 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.589 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.3 mmtt -61.06 -39.39 89.65 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.686 -0.634 . . . . 0.0 109.657 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.506 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.1 t80 -57.88 -43.67 86.22 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.51 -0.744 . . . . 0.0 109.111 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.46 -41.1 93.75 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 108.859 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . 0.433 ' NZ ' ' OD1' ' B' ' 176' ' ' ASP . 21.3 tttt -58.49 -43.91 89.19 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.388 -0.82 . . . . 0.0 109.68 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.52 -50.64 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.249 -0.907 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.506 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 2.1 m-85 -66.68 -35.76 80.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.378 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.48 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 34.8 tp -60.12 -38.3 82.6 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 108.532 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 m -66.65 -45.82 77.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.367 -0.833 . . . . 0.0 109.255 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -61.5 -38.67 88.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.617 -0.677 . . . . 0.0 109.609 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.64 -41.52 98.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.284 -0.885 . . . . 0.0 109.705 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.37 61.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.542 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -84.29 -3.37 58.19 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.787 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.16 12.36 84.69 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.11 -29.13 60.49 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.232 -1.158 . . . . 0.0 109.985 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 21.6 mm -106.42 133.2 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.162 -0.961 . . . . 0.0 109.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 CA-C-O 117.933 -1.481 . . . . 0.0 109.54 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.683 ' CG2' ' H ' ' B' ' 129' ' ' ASN . 16.4 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . 0.683 ' H ' ' CG2' ' B' ' 128' ' ' ILE . 19.2 m120 -75.36 18.99 0.18 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.489 -1.382 . . . . 0.0 108.073 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.617 ' CD1' ' HZ1' ' A' ' 88' ' ' LYS . 20.5 tt -69.69 -43.36 80.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.502 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 88.4 m-20 -69.11 -41.81 76.92 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.403 ' HD2' HD21 ' B' ' 129' ' ' ASN . 77.0 mttt -65.84 -46.31 79.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.45 -46.23 84.03 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.745 0.783 . . . . 0.0 109.415 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 92' ' ' TYR . 2.1 tp-100 -63.28 -40.73 98.21 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.819 -0.551 . . . . 0.0 110.046 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 131' ' ' ASP . 53.0 p30 -172.82 165.61 5.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.069 -1.019 . . . . 0.0 110.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 70.9 mtm -60.65 -33.23 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.438 -0.789 . . . . 0.0 109.484 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -59.9 155.42 16.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.446 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -91.38 -111.99 0.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -0.922 . . . . 0.0 110.581 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.26 142.54 51.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.849 . . . . 0.0 110.749 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 55.3 mtt -60.9 -37.04 80.85 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 122.004 0.907 . . . . 0.0 109.074 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 68.8 mt -56.58 -33.07 65.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.223 -0.923 . . . . 0.0 109.204 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.65 -36.87 77.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.183 -0.948 . . . . 0.0 108.694 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.535 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 3.7 mm? -60.75 -31.14 70.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 0.0 108.65 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.45 HG23 HD13 ' B' ' 144' ' ' ILE . 36.9 mm -67.88 -31.98 54.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -57.7 -38.97 76.13 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.42 -35.8 74.66 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.29 80.22 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.78 -38.7 70.27 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.96 -34.0 72.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.403 ' CD2' ' C ' ' B' ' 150' ' ' LEU . 6.1 tt -55.0 -43.03 73.23 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.54 -39.82 92.45 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.344 -0.848 . . . . 0.0 109.254 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.567 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.2 tm-20 -61.77 -38.55 88.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.495 -0.753 . . . . 0.0 109.683 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 33.2 t -65.46 -50.18 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.162 -0.961 . . . . 0.0 110.216 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . 0.402 HD12 ' HH ' ' A' ' 153' ' ' TYR . 1.5 mm? -66.26 -33.33 75.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 109.267 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.21 99.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.1 mtp -66.45 -38.64 87.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 109.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.1 t-20 -60.67 -38.25 84.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.8 m-20 170.5 107.31 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.831 . . . . 0.0 109.277 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.85 -35.23 70.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.9 p -85.21 2.84 42.06 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.63 97.99 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -126.36 154.3 43.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.943 . . . . 0.0 109.089 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.409 ' H ' ' CD1' ' B' ' 163' ' ' LEU . 6.7 mp -55.0 -34.05 63.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 109.464 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.58 -32.97 70.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.374 -0.829 . . . . 0.0 109.73 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.48 -22.91 56.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.3 -0.875 . . . . 0.0 109.908 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.587 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.6 mt -102.68 134.29 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.227 -0.92 . . . . 0.0 108.989 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 13.6 t -59.67 70.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.415 -0.803 . . . . 0.0 110.168 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.1 t0 -64.04 -38.17 90.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.5 -48.91 77.49 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.981 -1.074 . . . . 0.0 111.333 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -42.71 68.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.883 -1.136 . . . . 0.0 109.841 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.39 -38.25 90.42 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.589 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -60.96 -42.47 98.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.67 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.68 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.053 -1.029 . . . . 0.0 110.199 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.542 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.77 -37.26 81.84 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.177 -0.952 . . . . 0.0 110.31 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 17.1 tp -68.1 -37.08 80.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.04 -1.037 . . . . 0.0 110.553 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.433 ' OD1' ' NZ ' ' A' ' 155' ' ' LYS . 95.2 m-20 -62.71 -39.68 94.79 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.003 -1.06 . . . . 0.0 109.123 -178.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.44 -42.95 64.45 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.104 -0.998 . . . . 0.0 108.344 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.402 HD22 ' HZ1' ' A' ' 118' ' ' LYS . 15.2 tp -65.12 -38.38 90.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.556 -0.715 . . . . 0.0 109.651 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.68 71.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.216 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.28 -36.32 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 108.995 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.44 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.2 tm-20 -67.58 -46.37 72.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.385 -0.822 . . . . 0.0 109.95 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.594 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 47.5 m-20 -70.74 -36.22 73.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.419 -0.801 . . . . 0.0 109.761 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -86.68 170.26 11.95 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.268 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.95 121.57 45.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.457 -0.777 . . . . 0.0 109.23 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.561 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 1.5 mm? -91.28 138.03 25.88 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.31 -0.869 . . . . 0.0 108.844 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo . . . . . 0 N--CA 1.493 1.447 0 C-N-CA 122.154 1.903 . . . . 0.0 112.305 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.346 0.593 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.73 77.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 0.0 109.44 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m -60.36 -37.07 79.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.406 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.44 -36.69 78.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.244 -0.91 . . . . 0.0 109.443 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.43 92.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 109.517 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.08 90.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.928 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.539 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 45.2 ttt-85 -59.83 -41.02 90.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.116 -0.99 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.64 -40.09 83.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.07 -47.36 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 108.641 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.539 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 51.7 m -61.29 -38.33 86.41 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.02 81.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 108.717 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.54 -33.1 72.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.141 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -60.5 -38.7 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 108.977 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CE2' ' CG2' ' A' ' 23' ' ' ILE . 54.8 m-85 -62.88 -42.33 99.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.257 -0.902 . . . . 0.0 108.818 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.23 -41.57 97.11 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.75 -11.35 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.648 -0.658 . . . . 0.0 109.492 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.15 4.7 62.76 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.69 72.44 1.38 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.035 -1.273 . . . . 0.0 109.226 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.95 -32.87 85.62 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 ' CD1' ' OE1' ' B' ' 134' ' ' GLN . 75.6 mt -57.45 -43.24 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.991 -1.3 . . . . 0.0 109.93 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 34.6 mm -66.57 -47.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 108.791 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.77 83.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 87.1 t80 -58.77 -48.9 79.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -1.049 . . . . 0.0 109.793 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 40.0 m-85 -67.34 -36.73 82.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.029 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.043 -1.035 . . . . 0.0 110.083 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.402 HE22 HG23 ' A' ' 55' ' ' THR . 96.9 mt-30 -61.03 -39.97 91.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.958 -1.089 . . . . 0.0 108.539 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.13 -39.02 92.45 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.427 ' CE1' ' CD1' ' A' ' 34' ' ' LEU . 68.1 t80 -65.07 -45.6 84.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.655 -0.653 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.82 88.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.111 -0.993 . . . . 0.0 109.977 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.09 -47.85 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.953 . . . . 0.0 110.201 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.582 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.54 -32.84 74.65 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.363 -0.835 . . . . 0.0 109.749 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.4 -46.35 90.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.279 -0.888 . . . . 0.0 109.651 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.54 -46.38 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.841 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.47 -38.72 92.01 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.364 -0.835 . . . . 0.0 109.523 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.7 t -68.63 -10.75 57.99 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -92.88 126.07 37.78 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.373 -0.829 . . . . 0.0 109.485 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.91 -35.21 79.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.791 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.63 125.63 33.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 110.045 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -142.09 143.95 33.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.637 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m -114.16 158.89 20.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -52.85 -34.3 53.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.862 -1.148 . . . . 0.0 108.45 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -69.97 -44.06 70.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.283 -0.885 . . . . 0.0 109.799 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.1 mtp -69.01 -40.91 78.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.825 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.0 109.633 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.17 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -0.821 . . . . 0.0 109.952 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.27 -40.34 95.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.747 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.56 88.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.124 -0.985 . . . . 0.0 109.675 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.45 -45.78 92.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 110.504 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -38.12 74.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 0.0 109.735 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 109.931 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.22 -39.01 77.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.057 -1.027 . . . . 0.0 109.173 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.16 -43.37 98.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.237 -0.914 . . . . 0.0 109.38 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 HE22 ' A' ' 28' ' ' GLN . 46.7 m -68.42 -47.49 67.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.918 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -60.76 -48.46 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.281 -0.887 . . . . 0.0 109.774 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.92 -40.41 91.41 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.037 -1.039 . . . . 0.0 109.225 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.29 80.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 108.938 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -61.86 -47.17 86.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.749 . . . . 0.0 110.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.592 ' O ' ' N ' ' A' ' 64' ' ' GLY . 39.5 tttt -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -63.31 -33.16 74.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 108.684 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.2 -31.06 66.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 63' ' ' ILE . 70.7 mt -123.76 7.83 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.584 -0.697 . . . . 0.0 109.774 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.66 -37.87 62.38 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.56 63.79 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -37.76 73.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.907 -1.349 . . . . 0.0 108.958 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -135.21 -29.73 1.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.17 -31.45 72.6 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.89 -35.69 77.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.388 -0.82 . . . . 0.0 109.24 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -58.4 -42.9 88.16 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.049 -1.032 . . . . 0.0 108.505 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -65.24 -39.4 92.66 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -158.79 95.49 1.3 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -93.81 6.85 47.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 0.0 109.689 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -95.87 -75.36 0.53 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.16 -0.962 . . . . 0.0 110.004 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -67.32 -40.26 85.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.806 . . . . 0.0 111.39 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.4 tp -68.41 -34.98 76.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.486 -1.384 . . . . 0.0 109.779 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.571 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.02 -45.06 94.01 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.235 -0.916 . . . . 0.0 109.584 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.12 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.464 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.6 ttt -58.84 -36.48 74.63 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.692 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.42 -32.83 71.73 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.692 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 29.0 m -57.15 -37.52 72.17 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 57.4 mt -60.08 -40.8 90.81 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.42 -0.8 . . . . 0.0 109.443 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.5 mt -85.06 -45.78 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.135 -0.978 . . . . 0.0 111.077 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.574 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 93.5 m-70 -72.82 -46.76 51.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.34 -0.85 . . . . 0.0 111.138 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -83.15 99.12 9.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.903 -1.123 . . . . 0.0 109.613 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.7 mp0 -64.53 -35.98 82.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 110.21 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.81 -47.68 84.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.0 110.158 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' HZ2' ' CD1' ' B' ' 130' ' ' ILE . 61.2 tttm -66.32 -41.74 89.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.465 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.443 -0.786 . . . . 0.0 108.894 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -44.72 70.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.49 -0.756 . . . . 0.0 109.684 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -65.05 -40.07 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.161 -0.962 . . . . 0.0 109.694 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -65.72 -43.86 87.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.638 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -62.15 -41.15 98.0 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.987 . . . . 0.0 108.509 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.4 tp -65.56 -42.2 92.11 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.466 HD22 ' CG1' ' B' ' 144' ' ' ILE . 20.9 m120 -62.88 -43.24 99.33 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.37 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.16 -48.88 69.31 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.296 -0.878 . . . . 0.0 108.888 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 57.7 m -61.65 -44.41 97.02 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.002 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.0 -38.1 89.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.358 -0.839 . . . . 0.0 109.443 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -62.77 -47.08 85.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 109.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 45.4 tp -67.36 -45.06 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.16 -0.963 . . . . 0.0 108.555 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -63.58 -39.55 94.67 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.594 -0.691 . . . . 0.0 109.468 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -62.39 -41.3 98.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.547 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.99 -39.45 93.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 110.027 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -62.7 -44.9 95.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.101 -1.0 . . . . 0.0 110.093 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.99 -35.79 78.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.938 -1.101 . . . . 0.0 108.545 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.582 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.0 tttp -59.59 -42.11 91.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 4.4 tp -57.93 -33.86 69.26 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 57.7 tttt -59.35 -45.03 92.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.758 -0.588 . . . . 0.0 110.223 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 66.0 m-20 -161.98 -1.42 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.169 -0.957 . . . . 0.0 111.132 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -74.04 158.07 51.76 Favored Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.688 -1.258 . . . . 0.0 110.125 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.4 140.33 69.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.492 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.5 m-90 -106.1 135.46 47.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.825 . . . . 0.0 109.299 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -157.25 172.31 18.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.089 -1.007 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.62 -38.2 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.679 -0.638 . . . . 0.0 109.433 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -54.78 -42.62 71.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.971 -1.081 . . . . 0.0 108.903 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.8 tp -62.31 -36.81 83.3 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.273 -0.892 . . . . 0.0 109.042 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.604 ' HZ1' ' CG ' ' B' ' 182' ' ' ASP . 40.0 tttt -59.09 -47.31 85.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.49 -0.756 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -65.45 -39.51 92.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.447 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.5 p -66.75 -35.28 79.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 109.877 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.31 -41.21 96.94 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.2 -0.938 . . . . 0.0 109.396 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.414 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 37.7 m95 -61.94 -36.89 82.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -0.912 . . . . 0.0 108.655 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.461 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.49 -40.65 89.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.538 -0.726 . . . . 0.0 109.312 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 79.8 m -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.08 -42.12 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 109.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.3 -40.43 96.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.329 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -65.31 -43.11 92.11 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 0.0 110.379 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.424 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 86.3 p -65.24 -31.15 72.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.03 -1.044 . . . . 0.0 109.822 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.424 ' N ' ' HG ' ' A' ' 129' ' ' SER . 0.0 OUTLIER -69.1 -41.97 76.76 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.757 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 131' ' ' ILE . 99.7 mt -59.41 -43.25 89.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 110.28 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.02 -44.79 75.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 110.225 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.582 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -68.0 -45.85 72.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.454 -0.779 . . . . 0.0 111.265 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.415 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 94.5 mt -61.4 -32.09 72.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.315 -0.866 . . . . 0.0 111.758 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -136.77 57.22 1.77 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.842 -1.161 . . . . 0.0 111.1 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.96 -38.93 93.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.972 -1.08 . . . . 0.0 109.295 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.57 -29.25 68.56 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.553 -0.717 . . . . 0.0 111.434 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -91.78 0.67 57.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.678 -1.264 . . . . 0.0 110.502 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 139' ' ' ILE . 78.3 mt -118.66 125.92 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.305 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.5 m -70.97 160.24 33.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.364 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.34 -38.87 92.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.209 -0.932 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.7 m -65.79 -44.7 84.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 0.0 109.385 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.38 -38.62 90.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.6 m -61.41 -39.03 89.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.316 -0.865 . . . . 0.0 109.298 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -57.48 -40.02 77.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.7 m -61.39 -41.53 97.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.401 ' HA ' HH11 ' A' ' 150' ' ' ARG . 82.2 mt -66.47 -41.17 89.42 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.365 -0.835 . . . . 0.0 109.453 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.04 -36.05 78.53 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.423 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -61.38 -41.34 96.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.246 -0.909 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.56 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 67.1 mtt85 -61.53 -42.15 98.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.008 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.11 -39.87 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 3.2 mmtt -60.76 -42.48 97.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.568 -0.708 . . . . 0.0 109.559 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.609 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.5 t80 -57.27 -43.41 83.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.56 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -64.86 -43.4 93.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -58.6 -43.96 89.71 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.364 -0.835 . . . . 0.0 109.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.476 ' O ' ' OG ' ' A' ' 159' ' ' SER . 92.7 mt -69.73 -50.41 49.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.124 -0.985 . . . . 0.0 110.768 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.609 ' CE2' ' CZ ' ' A' ' 153' ' ' TYR . 2.6 m-85 -66.82 -35.87 81.06 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 110.575 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.414 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -60.28 -36.36 77.67 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.054 -1.028 . . . . 0.0 108.253 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 85.3 p -69.43 -43.03 74.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.464 -0.772 . . . . 0.0 109.905 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -63.01 -37.75 88.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.353 -0.842 . . . . 0.0 109.581 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.49 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.81 -31.28 70.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.422 -0.798 . . . . 0.0 110.73 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.405 ' HZ3' HD23 ' B' ' 171' ' ' LEU . 49.0 mtmt -86.3 -2.03 58.03 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.884 -1.135 . . . . 0.0 110.111 -179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.15 79.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -74.4 -28.52 61.12 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.202 -1.175 . . . . 0.0 109.229 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 166' ' ' ILE . 22.7 mm -107.83 133.45 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.349 -0.844 . . . . 0.0 109.08 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.492 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.179 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.577 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.584 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.5 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -75.36 20.21 0.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.584 ' H ' ' C ' ' B' ' 128' ' ' ILE . 20.4 tt -65.26 -41.71 92.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.498 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 89.0 m-20 -70.49 -42.8 70.89 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.545 -0.862 . . . . 0.0 108.904 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.6 -42.75 77.73 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.536 0.684 . . . . 0.0 109.796 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.26 -47.75 78.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 110.01 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.406 ' OE1' ' CD1' ' A' ' 22' ' ' ILE . 7.6 mm100 -74.07 -40.59 62.66 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.784 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.428 ' OD2' ' OE1' ' B' ' 137' ' ' GLN . 51.0 t0 -148.79 110.67 4.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.904 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.484 ' O ' ' C ' ' B' ' 137' ' ' GLN . 64.9 mtt -59.48 -32.87 70.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 109.713 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 136' ' ' MET . 95.2 mt-30 -34.21 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.692 -0.63 . . . . 0.0 110.777 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . 0.6 ' CG ' ' H ' ' B' ' 139' ' ' GLU . 43.3 t0 -172.8 -162.39 0.18 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.019 -1.051 . . . . 0.0 110.025 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.6 ' H ' ' CG ' ' B' ' 138' ' ' ASP . 95.9 mt-10 -54.21 150.46 8.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.301 -0.875 . . . . 0.0 110.307 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.2 mtp -57.68 -45.0 86.2 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.839 0.828 . . . . 0.0 109.788 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.52 -33.72 75.47 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.125 -0.984 . . . . 0.0 108.586 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.7 -36.38 76.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.24 -34.6 68.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . 0.466 ' CG1' HD22 ' A' ' 95' ' ' ASN . 55.4 mt -67.62 -31.11 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.492 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.21 -37.59 69.86 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.22 -36.02 74.68 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.66 85.05 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.85 -39.12 71.0 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.976 -1.308 . . . . 0.0 107.643 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.582 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.0 tt0 -59.17 -33.4 70.88 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' B' ' 150' ' ' LEU . 1.6 tm? -54.55 -45.8 73.53 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.75 -40.65 93.21 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 108.998 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.553 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.1 tm-20 -63.0 -40.18 96.98 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.384 -0.822 . . . . 0.0 109.748 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.68 -50.2 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 110.415 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.53 -33.19 75.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.14 -0.975 . . . . 0.0 109.284 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.43 96.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.555 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -64.19 -36.96 85.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.028 -1.045 . . . . 0.0 109.717 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.7 t-20 -60.37 -39.45 87.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.264 -0.897 . . . . 0.0 109.683 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.1 m120 163.38 108.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.396 -0.815 . . . . 0.0 109.134 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -58.28 -35.75 72.25 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.117 -0.99 . . . . 0.0 109.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.9 p -82.21 0.61 40.35 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -75.95 101.92 1.5 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' B' ' 163' ' ' LEU . 1.2 tm-20 -124.02 173.21 8.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.478 -1.013 . . . . 0.0 109.543 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . 0.586 ' H ' ' CD ' ' B' ' 162' ' ' GLU . 6.8 mp -60.11 -36.2 76.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.183 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.98 -33.58 72.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.814 . . . . 0.0 109.579 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.66 -20.6 58.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' B' ' 168' ' ' ASP . 34.1 mt -102.83 134.14 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.4 p -58.5 70.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.406 -0.809 . . . . 0.0 110.488 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.588 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.0 t0 -64.1 -37.81 88.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.147 -0.971 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.14 -49.25 75.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.034 . . . . 0.0 111.346 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.54 -43.58 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.901 -1.124 . . . . 0.0 109.579 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . 0.405 HD23 ' HZ3' ' A' ' 163' ' ' LYS . 94.7 mt -62.1 -38.42 88.81 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.694 -0.628 . . . . 0.0 110.575 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 92.0 m-20 -61.68 -42.91 99.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.09 -1.006 . . . . 0.0 110.345 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.062 -1.024 . . . . 0.0 109.723 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.4 mt-10 -65.39 -38.39 89.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 110.419 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 18.5 tp -67.13 -34.87 78.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.904 -1.123 . . . . 0.0 110.51 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 28.3 m-20 -61.87 -36.85 82.48 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 108.64 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.47 68.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 108.565 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.16 -36.7 85.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.509 -0.745 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -62.64 -38.36 89.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.081 -1.012 . . . . 0.0 110.004 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.89 -42.5 99.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 0.0 110.24 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' B' ' 182' ' ' ASP . 2.9 pp20? -85.83 -33.42 21.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.183 -0.948 . . . . 0.0 110.036 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.604 ' CG ' ' HZ1' ' A' ' 118' ' ' LYS . 47.0 t0 -64.16 -33.73 76.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.0 108.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.56 173.42 10.19 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.77 123.64 49.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.499 -0.751 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 2.3 mm? -91.24 137.57 26.18 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.369 -0.832 . . . . 0.0 108.845 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo . . . . . 0 N--CA 1.492 1.41 0 C-N-CA 122.156 1.904 . . . . 0.0 112.245 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.9 79.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -0.932 . . . . 0.0 109.522 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -61.17 -33.08 72.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.149 -0.97 . . . . 0.0 109.372 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -60.7 -38.58 85.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.274 -0.892 . . . . 0.0 109.209 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.69 93.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.456 -0.777 . . . . 0.0 109.534 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.54 89.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.03 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -59.87 -40.59 89.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.53 -39.91 82.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.11 -46.33 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 108.924 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.63 79.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 108.671 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -61.2 -38.77 87.75 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 108.736 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -60.44 -31.34 70.32 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.372 -0.83 . . . . 0.0 108.991 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -60.76 -39.96 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -63.45 -39.75 95.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.0 109.646 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.104 -0.998 . . . . 0.0 108.918 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -60.75 -33.63 73.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.424 -0.798 . . . . 0.0 109.162 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.407 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -87.08 -6.42 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.839 . . . . 0.0 109.922 -179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 5.4 62.86 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.999 -1.096 . . . . 0.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' H ' HG12 ' A' ' 18' ' ' VAL . 47.1 mt -94.25 57.72 2.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.321 . . . . 0.0 109.433 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.46 -32.21 68.12 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.82 -43.22 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.248 . . . . 0.0 109.507 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.37 -46.71 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.999 -1.063 . . . . 0.0 108.86 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.58 79.37 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 76.7 t80 -58.78 -50.16 74.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -1.087 . . . . 0.0 109.77 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 48.8 m-85 -67.67 -36.16 80.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.251 -0.906 . . . . 0.0 110.198 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.06 -42.3 99.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.038 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -61.03 -39.45 89.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 108.384 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -38.7 91.95 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 58.0 t80 -63.36 -44.37 95.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.55 84.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.176 -0.953 . . . . 0.0 110.191 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.34 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 110.179 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.591 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -65.52 -32.14 73.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.52 -46.05 91.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 109.735 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.76 -42.32 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.4 -36.86 85.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.421 -0.8 . . . . 0.0 109.741 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -68.16 -11.05 58.52 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.98 123.63 35.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.78 -36.43 80.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -89.79 125.89 35.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.985 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -138.7 122.85 18.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -80.79 163.92 23.11 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -55.05 -36.46 65.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.898 -1.126 . . . . 0.0 108.631 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.98 -43.88 74.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 0.0 109.699 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -66.36 -40.06 89.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.572 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 m -63.39 -44.04 95.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.333 -0.854 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.85 -34.29 75.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.519 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.38 -40.91 98.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.631 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.8 91.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.95 -45.87 92.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 110.437 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.89 -38.12 78.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.875 . . . . 0.0 109.828 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.79 -37.72 88.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.47 -39.23 79.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.002 -1.061 . . . . 0.0 109.322 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.43 -42.5 99.5 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.365 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -65.39 -44.67 86.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -51.49 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 0.0 109.229 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -37.35 83.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.55 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.25 85.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.0 t80 -66.09 -48.4 71.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.832 . . . . 0.0 109.577 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 64' ' ' GLY . 36.9 tttt -62.57 -35.35 79.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.539 -0.725 . . . . 0.0 109.318 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.96 -34.75 78.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.21 -31.81 70.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.364 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 63' ' ' ILE . 5.0 mt -122.87 11.89 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.62 -0.675 . . . . 0.0 109.808 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.16 -37.26 46.19 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.01 66.31 Favored Glycine 0 N--CA 1.488 2.131 0 O-C-N 121.166 -1.196 . . . . 0.0 110.197 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.47 -38.16 76.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.763 -1.433 . . . . 0.0 108.945 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -28.68 1.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.53 -31.93 73.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -61.54 -35.74 78.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.349 -0.844 . . . . 0.0 109.259 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.13 -37.65 77.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 108.974 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.78 -40.81 89.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.574 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.77 -61.11 1.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.775 . . . . 0.0 108.979 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 67.0 -18.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.576 -0.702 . . . . 0.0 109.87 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 72' ' ' SER . 52.2 mttm -93.17 -80.74 0.37 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.334 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.8 p -67.89 -35.85 79.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 110.217 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.5 tp -65.59 -36.27 83.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.863 -1.148 . . . . 0.0 109.53 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.441 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.4 t60 -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.142 -0.974 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -64.66 -40.85 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 108.599 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.438 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.0 ttt -58.3 -36.5 73.44 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.35 -32.43 71.26 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.338 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.592 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 23.2 m -56.97 -37.31 71.41 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 69.5 mt -60.54 -40.39 91.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.532 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.1 mt -86.22 -45.32 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.157 -0.964 . . . . 0.0 111.527 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.569 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.8 m-70 -76.11 -47.83 22.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 111.34 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -81.94 102.41 10.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.808 -1.183 . . . . 0.0 109.715 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -63.66 -35.16 79.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.407 -0.808 . . . . 0.0 109.861 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.32 -47.11 87.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.262 -0.899 . . . . 0.0 109.962 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -64.29 -43.26 95.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.142 -0.974 . . . . 0.0 109.046 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . . . -64.2 -37.92 89.21 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -45.18 73.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.748 . . . . 0.0 109.61 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.34 -44.17 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.161 -0.962 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 44.5 t80 -63.81 -45.04 91.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.258 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 108.902 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.33 -41.19 98.35 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' B' ' 140' ' ' MET . 92.1 m-20 -62.9 -41.02 99.28 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.429 -0.794 . . . . 0.0 109.754 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.31 -48.94 71.34 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.911 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.2 m -63.69 -46.02 87.4 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.421 -0.8 . . . . 0.0 109.138 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 92.3 mmm -63.21 -40.07 96.44 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.185 -0.947 . . . . 0.0 109.551 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -63.69 -46.92 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.01 -42.56 80.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.194 -0.941 . . . . 0.0 108.627 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -60.78 -41.21 95.08 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.068 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.95 -40.55 95.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.876 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.91 -40.08 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.714 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -63.43 -45.45 90.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.982 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.7 mt -69.01 -36.15 77.47 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 33.8 tttp -60.26 -45.95 91.5 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -64.09 -36.73 84.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.466 ' CD1' ' CD1' ' A' ' 157' ' ' TYR . 10.0 tp -58.88 -32.73 69.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 69.4 tttt -59.13 -39.58 82.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.678 -0.639 . . . . 0.0 110.126 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.23 -22.81 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.264 -0.897 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.48 156.8 3.17 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.56 141.26 85.57 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.838 2.359 . . . . 0.0 112.579 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -106.08 137.03 44.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -153.89 172.95 16.6 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.971 -1.081 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.35 -39.92 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.329 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -57.28 -42.4 81.59 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.013 -1.054 . . . . 0.0 108.64 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.7 tp -62.3 -36.89 83.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.457 -0.777 . . . . 0.0 108.925 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.592 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.8 tttt -56.69 -47.34 80.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.485 -0.759 . . . . 0.0 109.857 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -66.43 -36.22 82.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.518 -0.739 . . . . 0.0 109.563 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -60.95 -40.54 93.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 110.299 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.73 -39.44 94.07 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.022 -1.049 . . . . 0.0 108.779 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.465 ' NE1' ' CD2' ' A' ' 158' ' ' LEU . 53.2 m95 -63.41 -39.18 93.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -42.37 96.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.751 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.31 -40.16 93.15 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.271 -0.893 . . . . 0.0 109.701 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.0 110.081 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.23 -42.38 96.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.044 -1.035 . . . . 0.0 110.064 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.58 -39.61 94.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 110.179 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -64.32 -43.95 93.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.977 . . . . 0.0 110.179 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -62.03 -36.99 83.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 87.5 m -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.97 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.436 HD12 HG22 ' A' ' 131' ' ' ILE . 98.8 mt -59.03 -43.82 89.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.104 -0.997 . . . . 0.0 110.253 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.47 -45.32 69.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.591 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -67.12 -45.68 76.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.827 . . . . 0.0 110.928 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.18 -30.54 71.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 111.637 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -137.57 55.28 1.8 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 111.482 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -62.49 -37.85 87.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.123 . . . . 0.0 109.341 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.01 -29.66 68.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.553 -0.717 . . . . 0.0 111.339 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -91.87 0.83 57.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.744 -1.223 . . . . 0.0 110.426 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.42 HG23 HD13 ' A' ' 139' ' ' ILE . 80.0 mt -118.06 126.32 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.332 -0.855 . . . . 0.0 109.276 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.86 160.0 33.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.0 109.436 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -65.01 -38.3 90.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.182 -0.949 . . . . 0.0 109.398 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.0 m -64.79 -45.4 86.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.9 p -65.96 -34.15 77.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.234 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 47.6 m -63.6 -40.69 97.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.82 . . . . 0.0 109.322 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.17 -39.11 78.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.87 -41.92 98.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.08 -41.24 86.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.396 -0.815 . . . . 0.0 109.73 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.03 -37.0 81.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 109.337 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.17 -40.39 95.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.852 . . . . 0.0 108.852 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.6 mtt180 -61.39 -42.09 98.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 108.917 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 75.4 mt -64.98 -43.04 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.586 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.7 mmtt -61.13 -38.72 87.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.658 -0.651 . . . . 0.0 109.579 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -57.91 -43.8 86.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.96 -40.28 91.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 108.677 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.0 -43.71 91.54 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 0.0 109.485 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.32 -49.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.63 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.466 ' CD1' ' CD1' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.278 -0.889 . . . . 0.0 110.841 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.465 ' CD2' ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.425 ' N ' HD21 ' B' ' 175' ' ' LEU . 37.3 t -65.07 -45.44 85.29 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.627 -0.67 . . . . 0.0 110.116 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -60.43 -38.58 84.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.447 -0.783 . . . . 0.0 110.105 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.03 -35.67 75.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 0.0 108.968 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -29.4 69.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.341 -0.85 . . . . 0.0 109.886 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -78.67 -16.02 57.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.129 -0.982 . . . . 0.0 109.289 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.33 78.15 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.64 -28.84 61.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.535 -0.979 . . . . 0.0 109.816 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.2 mm -102.11 130.8 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 109.015 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.608 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ILE . . . . . 0.517 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -78.0 20.24 0.38 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' B' ' 128' ' ' ILE . 18.7 tt -65.07 -41.86 93.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ASP . . . . . 0.49 ' N ' ' CG2' ' B' ' 130' ' ' ILE . 88.6 m-20 -71.69 -41.76 68.26 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -66.8 -46.75 74.23 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.64 0.733 . . . . 0.0 109.38 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.43 -44.18 92.0 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.719 0.771 . . . . 0.0 109.004 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . 0.502 ' CG ' ' CE1' ' A' ' 92' ' ' TYR . 3.2 tp60 -61.68 -41.08 97.07 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' B' ' 136' ' ' MET . 49.7 t0 -173.92 162.49 3.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.331 -0.856 . . . . 0.0 109.585 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' MET . . . . . 0.441 ' O ' ' C ' ' B' ' 137' ' ' GLN . 64.9 mtt -58.06 -29.07 65.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.907 . . . . 0.0 108.804 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' GLN . . . . . 0.442 ' NE2' ' CD1' ' B' ' 143' ' ' LEU . 88.2 mt-30 -41.29 138.16 1.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.583 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.52 -46.92 80.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -147.07 149.62 33.43 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.752 -1.217 . . . . 0.0 110.582 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' MET . . . . . 0.58 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.9 mtp -63.23 -41.35 99.09 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 122.075 0.941 . . . . 0.0 109.515 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.68 -32.59 69.26 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 108.507 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.92 -34.44 71.72 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.332 -0.855 . . . . 0.0 108.814 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 2.6 mm? -60.34 -34.38 73.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 108.578 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.55 -32.28 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.025 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.5 -38.92 78.65 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.7 -35.81 75.27 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.48 84.98 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.81 -39.68 71.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.27 . . . . 0.0 107.8 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.4 tt0 -61.65 -33.39 73.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 5.8 tt -54.93 -43.35 73.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.58 -40.72 97.79 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.392 -0.817 . . . . 0.0 108.912 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' GLU . . . . . 0.554 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.0 tm-20 -62.68 -39.16 93.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.489 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.17 -50.52 76.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.354 -0.841 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -33.27 75.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.154 -0.966 . . . . 0.0 109.081 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.3 93.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.8 mtp -63.92 -38.97 93.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.074 -1.016 . . . . 0.0 109.478 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.5 t-20 -60.75 -38.68 85.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.396 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 5.0 m-20 166.48 107.17 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.46 -0.775 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.07 -35.01 70.75 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.098 -1.002 . . . . 0.0 108.787 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 51.7 p -83.5 0.71 45.24 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.59 98.32 0.07 OUTLIER Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -119.97 154.66 34.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.975 . . . . 0.0 109.177 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.61 -32.89 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.288 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.28 -33.1 70.65 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.277 -0.889 . . . . 0.0 109.434 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.31 -24.5 57.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 109.553 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 38.1 mt -101.21 132.68 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.15 -0.969 . . . . 0.0 108.565 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -58.5 70.25 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.412 -0.805 . . . . 0.0 110.357 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.6 t0 -60.87 -36.9 80.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.058 -1.026 . . . . 0.0 111.017 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.63 72.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.0 111.893 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -43.57 65.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.674 -1.266 . . . . 0.0 109.785 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.85 -38.22 89.95 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 110.146 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' ASP . . . . . 0.586 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 94.1 m-20 -61.01 -41.17 96.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 110.593 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.92 92.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.092 -1.005 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.42 -35.9 82.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.155 -0.966 . . . . 0.0 109.972 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 159' ' ' SER . 0.1 OUTLIER -62.89 -42.56 99.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 110.574 -179.263 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.58 -40.25 96.47 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.992 -1.067 . . . . 0.0 109.729 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.61 71.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.06 -1.025 . . . . 0.0 108.986 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.3 -32.22 73.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.879 . . . . 0.0 109.409 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.32 83.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.026 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.34 -39.3 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.837 . . . . 0.0 109.067 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . 0.481 ' OE1' ' OD1' ' B' ' 182' ' ' ASP . 3.8 tm-20 -72.95 -42.67 63.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' ASP . . . . . 0.592 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 67.9 m-20 -70.39 -34.54 72.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.56 -0.713 . . . . 0.0 110.183 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.5 173.43 8.34 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.421 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.35 119.23 38.83 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.486 -0.759 . . . . 0.0 109.053 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 185' ' ' LEU . . . . . 0.615 ' N ' ' CD2' ' B' ' 185' ' ' LEU . 3.0 mm? -91.34 138.29 25.66 Favored Pre-proline 0 C--N 1.301 -1.528 0 O-C-N 121.392 -0.818 . . . . 0.0 109.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 N--CA 1.491 1.369 0 C-N-CA 122.217 1.944 . . . . 0.0 112.205 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -60.7 -37.77 82.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.896 . . . . 0.0 109.341 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.893 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.58 -40.26 96.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.855 . . . . 0.0 109.256 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.278 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -59.96 -44.34 94.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.344 -0.848 . . . . 0.0 109.19 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.58 -42.89 95.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.46 -46.11 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.0 109.48 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.92 85.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 108.964 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -61.84 -39.47 91.94 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.44 -0.787 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 109.043 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.42 -33.04 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.409 -0.807 . . . . 0.0 109.475 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.0 -42.72 98.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 23' ' ' ILE . 82.4 m-85 -64.12 -37.43 87.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.273 -0.892 . . . . 0.0 109.719 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.0 -42.32 98.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.06 -1.025 . . . . 0.0 108.874 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.25 -30.83 70.69 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.25 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.521 -0.737 . . . . 0.0 109.77 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.07 4.88 62.79 Favored Glycine 0 N--CA 1.493 2.452 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.441 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' H ' HG12 ' A' ' 18' ' ' VAL . 81.6 mt -96.9 62.33 1.87 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.263 . . . . 0.0 109.135 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.95 -32.87 76.5 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 ' CE ' ' A' ' 79' ' ' MET . 76.9 mt -57.48 -43.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.995 -1.297 . . . . 0.0 109.634 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG21 ' CE1' ' A' ' 15' ' ' PHE . 34.0 mm -67.02 -49.12 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.03 -1.044 . . . . 0.0 108.824 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.35 79.94 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 80.2 t80 -58.59 -48.63 80.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.417 -1.049 . . . . 0.0 109.959 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.1 m-85 -67.57 -36.56 81.16 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.146 -0.971 . . . . 0.0 110.286 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.46 -41.61 98.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 0.0 109.951 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.33 -39.74 94.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.123 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.24 -39.54 92.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.403 -0.81 . . . . 0.0 109.45 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.5 t80 -63.38 -45.66 90.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.398 -0.814 . . . . 0.0 110.042 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.53 81.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.045 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.86 -51.15 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 110.002 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -67.01 -30.41 70.5 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.893 HD23 ' HB2' ' A' ' 5' ' ' ALA . 5.6 tp -60.44 -44.39 95.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.239 0.543 . . . . 0.0 109.555 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.07 -44.75 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 109.329 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -37.45 87.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.476 -0.765 . . . . 0.0 109.795 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -77.0 1.3 18.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.468 -0.77 . . . . 0.0 109.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -93.5 126.27 38.56 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.176 -0.953 . . . . 0.0 109.246 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.0 -36.29 81.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.0 109.862 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.87 125.67 38.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 110.077 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -137.54 142.57 41.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.372 -0.83 . . . . 0.0 109.568 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.21 162.64 16.29 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -53.58 -35.4 60.78 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.913 -1.117 . . . . 0.0 108.716 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.54 -43.04 73.78 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.304 -0.873 . . . . 0.0 109.931 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.1 mtp -70.44 -41.33 72.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.823 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -62.87 -44.28 96.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 0.0 109.453 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.95 73.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.349 -0.845 . . . . 0.0 109.694 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.21 -39.34 92.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.717 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.29 95.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.0 109.466 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.8 -45.99 92.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 110.352 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.22 -37.62 77.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.621 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.26 -37.87 88.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.58 -39.66 80.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.966 -1.084 . . . . 0.0 109.365 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.01 -42.21 98.91 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.424 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.8 m -65.15 -45.96 82.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.331 -0.855 . . . . 0.0 109.917 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.31 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.308 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.31 -39.16 93.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.59 88.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.236 -0.915 . . . . 0.0 109.007 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.5 t80 -67.61 -48.84 65.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.419 -0.801 . . . . 0.0 109.765 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 50.8 tttt -63.51 -39.81 95.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.0 109.176 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -63.01 -33.81 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -31.28 68.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.528 -0.733 . . . . 0.0 109.241 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 63' ' ' ILE . 77.3 mt -124.16 9.53 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.542 -0.723 . . . . 0.0 109.892 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.17 -37.62 64.73 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.42 1.38 64.36 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.17 -37.86 75.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.298 . . . . 0.0 109.056 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -134.86 -29.33 1.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.17 -30.78 71.86 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.65 81.18 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.02 -43.65 82.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 108.361 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.98 -39.43 93.46 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -161.41 96.91 1.08 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.19 6.79 48.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 109.604 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -94.59 -75.05 0.52 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.208 -0.932 . . . . 0.0 109.899 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.6 p -66.99 -38.48 86.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.397 -0.814 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.554 HD11 HG23 ' A' ' 63' ' ' ILE . 32.2 tp -67.58 -35.39 78.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.616 -1.302 . . . . 0.0 109.638 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.3 t60 -60.14 -45.12 94.12 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.624 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.06 -42.7 96.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 108.306 179.354 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.732 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.4 ttt -58.87 -36.71 75.05 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.58 -32.92 71.99 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -56.67 -37.74 71.24 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.2 mt -60.41 -40.75 92.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.541 -0.724 . . . . 0.0 109.67 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 25' ' ' TYR . 83.0 mt -85.97 -45.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 111.294 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -72.84 -46.52 52.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 111.097 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -81.29 100.88 9.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.868 -1.145 . . . . 0.0 109.416 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.42 -37.07 86.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 0.0 110.277 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.81 -47.46 83.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 110.343 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -65.78 -41.88 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.381 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.28 -37.81 88.7 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.388 -0.82 . . . . 0.0 108.91 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -44.86 68.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.469 -0.769 . . . . 0.0 109.597 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.62 -45.9 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 0.0 109.884 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -64.17 -43.61 94.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.095 -1.003 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.35 -41.63 98.75 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.229 -0.919 . . . . 0.0 108.674 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.2 tp -65.68 -42.28 91.45 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.2 m120 -62.61 -41.63 99.1 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.422 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -65.67 -49.23 69.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.971 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.525 ' OG1' HD11 ' A' ' 131' ' ' ILE . 54.2 m -63.3 -44.96 93.54 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.384 -0.823 . . . . 0.0 109.141 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.7 mmm -63.74 -38.14 90.01 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.305 -0.872 . . . . 0.0 109.628 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.0 m -62.18 -46.26 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.93 -46.73 73.87 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -60.44 -42.5 96.25 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.685 -0.634 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' B' ' 150' ' ' LEU . 55.1 t-20 -60.13 -39.3 85.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.47 -40.02 96.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 110.094 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 121' ' ' LEU . 47.9 mmtt -62.76 -45.09 94.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.093 -1.005 . . . . 0.0 109.888 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.989 HD22 HD11 ' B' ' 150' ' ' LEU . 11.0 mp -67.29 -36.58 81.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.019 -1.05 . . . . 0.0 108.849 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.2 tttp -60.89 -44.99 96.35 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.6 mt-30 -62.3 -36.65 82.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -57.75 -32.52 67.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -59.22 -41.89 89.7 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.741 -0.599 . . . . 0.0 109.921 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.2 m-20 -167.46 -5.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.917 . . . . 0.0 111.048 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -65.37 156.67 48.11 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.95 137.48 62.7 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.782 2.321 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.438 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.03 135.1 48.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 109.087 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.02 172.68 17.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.02 -1.05 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.56 -38.8 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.71 -0.619 . . . . 0.0 109.46 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.63 -42.49 75.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 108.792 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.45 -35.96 80.92 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.856 . . . . 0.0 108.975 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 158' ' ' LEU . 78.2 tttt -57.48 -47.22 82.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.46 -0.775 . . . . 0.0 110.042 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -67.04 -39.44 86.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 12.4 m -63.04 -39.51 94.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.0 109.989 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.6 mt -61.84 -41.18 97.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.177 -0.952 . . . . 0.0 109.474 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.864 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.0 m95 -62.26 -37.05 83.95 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.316 -0.865 . . . . 0.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -41.97 92.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.404 -0.81 . . . . 0.0 109.636 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -40.76 96.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.666 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.58 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -56.92 -42.4 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.872 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.18 -40.49 96.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.082 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.09 -40.63 94.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.328 -0.858 . . . . 0.0 110.478 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' A' ' 151' ' ' ILE . 32.4 m-85 -64.3 -44.23 92.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.954 -1.091 . . . . 0.0 110.178 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t -61.83 -36.55 81.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 0.0 109.683 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.58 -43.06 85.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.892 . . . . 0.0 109.787 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.579 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 110.202 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.868 HD21 HD12 ' A' ' 147' ' ' LEU . 88.6 mt -68.46 -45.13 73.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.056 -1.027 . . . . 0.0 110.192 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.475 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 16.9 t60 -67.32 -42.94 82.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.276 -0.89 . . . . 0.0 111.035 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 134' ' ' LEU . 86.7 mt -61.12 -31.9 71.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 111.594 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -140.47 57.13 1.59 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.759 -1.213 . . . . 0.0 111.296 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.69 -37.56 84.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.826 -1.172 . . . . 0.0 109.061 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.27 -28.57 68.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.495 -0.753 . . . . 0.0 111.058 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.44 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -91.76 -0.62 57.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.843 -1.16 . . . . 0.0 110.282 -178.815 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.93 125.9 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.39 -0.819 . . . . 0.0 109.158 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 159.91 33.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -40.54 97.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.343 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.3 m -64.92 -44.5 89.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 109.4 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 m -62.56 -38.82 91.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.323 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.699 HG23 HD22 ' A' ' 132' ' ' LEU . 47.5 m -61.67 -39.51 91.66 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.372 -0.83 . . . . 0.0 109.431 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -57.89 -38.55 75.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.862 . . . . 0.0 109.675 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.487 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.0 m -61.84 -41.62 98.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 0.0 109.214 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.868 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -66.58 -41.23 88.88 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.369 -0.832 . . . . 0.0 109.521 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.93 -36.66 79.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.471 -0.768 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 18.7 tttp -61.78 -41.8 98.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 109.074 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.487 ' NH1' ' O ' ' A' ' 146' ' ' SER . 66.7 mtt85 -62.05 -41.82 98.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 108.977 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 128' ' ' PHE . 83.5 mt -65.38 -43.03 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.587 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.1 mmtt -61.22 -40.49 94.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.651 -0.656 . . . . 0.0 109.699 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.681 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 47.3 t80 -57.32 -43.6 83.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.395 -0.816 . . . . 0.0 108.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.1 m -65.3 -40.8 94.25 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.292 -0.88 . . . . 0.0 108.831 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.352 -0.843 . . . . 0.0 109.618 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.74 -50.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.425 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.8 m-85 -66.81 -35.64 80.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 110.495 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.864 HD21 ' NE1' ' A' ' 122' ' ' TRP . 38.8 tp -59.64 -38.76 82.26 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.009 -1.057 . . . . 0.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.8 t -66.61 -45.01 80.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.248 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.69 -38.46 85.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.575 -0.703 . . . . 0.0 109.364 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.7 mt -64.66 -42.33 95.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.334 -0.854 . . . . 0.0 109.662 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.547 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.43 -25.18 62.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.429 -0.794 . . . . 0.0 109.672 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.4 mtpt -83.16 -3.46 57.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.301 -0.874 . . . . 0.0 109.776 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.75 13.08 83.92 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -74.97 -29.63 60.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.281 -1.129 . . . . 0.0 109.743 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -107.04 133.18 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.228 -0.92 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.979 -1.456 . . . . 0.0 109.55 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.539 ' C ' ' H ' ' B' ' 130' ' ' ILE . 83.6 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.499 ' N ' HG22 ' B' ' 128' ' ' ILE . 70.0 m-20 -75.35 19.79 0.17 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -65.22 -41.89 92.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.0 m-20 -74.57 -41.7 60.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -66.87 -40.34 87.79 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.499 0.666 . . . . 0.0 109.957 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 110.452 -178.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.484 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 141' ' ' LEU . 92.1 mt -61.87 -34.77 76.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.279 -0.888 . . . . 0.0 108.96 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -60.3 -36.85 78.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.27 -33.65 67.84 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.77 -30.13 47.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.4 -38.16 73.84 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' GLN . . . . . 0.434 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 92.1 mt-30 -59.66 -36.17 75.88 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -33.5 84.98 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.47 -38.73 72.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.063 -1.257 . . . . 0.0 107.968 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.6 tt0 -60.4 -34.72 74.33 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 105' ' ' LEU . 6.8 tt -55.79 -42.96 76.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 108.743 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -58.7 -41.43 86.29 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.25 -37.97 87.46 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.448 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.1 t -65.04 -51.1 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.8 mm? -66.94 -33.26 75.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.058 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.37 96.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.847 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.6 mtp -65.17 -39.96 93.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.019 -1.051 . . . . 0.0 109.492 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.03 -39.18 88.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 0.0 109.359 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 1.0 OUTLIER 170.27 106.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.468 -0.77 . . . . 0.0 109.131 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.96 -36.11 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.111 -0.993 . . . . 0.0 108.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -84.58 6.37 24.11 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.77 97.93 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -118.63 152.95 35.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.98 . . . . 0.0 109.142 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.661 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -55.31 -33.41 63.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.398 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.31 -32.6 70.22 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -75.3 -23.01 57.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -0.896 . . . . 0.0 109.621 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.2 mt -101.88 135.51 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 108.896 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 89.1 p -59.77 69.17 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.42 -0.8 . . . . 0.0 110.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.4 t0 -64.58 -38.38 90.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.84 77.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.042 -1.036 . . . . 0.0 111.395 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -43.11 67.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.889 -1.132 . . . . 0.0 109.823 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.16 -38.16 90.07 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.523 -0.736 . . . . 0.0 110.228 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.587 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.1 m-20 -60.64 -43.12 97.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.506 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.74 81.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.975 -1.078 . . . . 0.0 109.849 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.88 -36.74 85.33 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.141 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 158' ' ' LEU . 20.9 tp -66.47 -35.79 81.16 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.941 -1.099 . . . . 0.0 110.693 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 27.6 m-20 -61.45 -37.33 83.17 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 120.945 -1.097 . . . . 0.0 108.505 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.73 73.1 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.547 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.8 mt -66.09 -35.44 80.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.929 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.84 -40.92 73.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.977 -1.077 . . . . 0.0 108.394 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -61.63 -34.7 76.13 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.546 -0.721 . . . . 0.0 109.116 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.69 -40.41 94.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.493 -0.754 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -93.78 -17.65 22.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.053 -1.03 . . . . 0.0 110.847 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.3 -1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.413 -179.43 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -60.67 -38.47 85.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.189 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.43 -0.794 . . . . 0.0 109.47 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.95 95.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -59.97 -39.3 85.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 108.823 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.38 -42.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.21 -47.33 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.29 83.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 108.786 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -62.41 -38.98 91.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.435 -0.79 . . . . 0.0 109.135 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.04 91.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.888 . . . . 0.0 109.078 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.84 -33.3 73.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 0.0 109.694 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.279 -0.888 . . . . 0.0 109.406 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -63.28 -43.14 98.76 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.953 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.56 -40.8 96.0 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.4 -30.83 71.49 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -87.19 -4.39 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.467 -0.771 . . . . 0.0 109.613 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.39 4.96 62.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -101.55 62.97 0.94 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.105 -1.232 . . . . 0.0 109.394 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.7 92.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.5 mt -57.9 -42.94 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.08 -1.247 . . . . 0.0 109.843 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -65.92 -47.64 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.95 -1.094 . . . . 0.0 108.912 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.91 -32.85 83.47 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 72.5 t80 -58.44 -47.09 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.416 -1.049 . . . . 0.0 109.961 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 29.7 m-85 -66.37 -34.68 78.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.942 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.12 -36.65 84.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.042 -1.036 . . . . 0.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.58 HE22 HG21 ' A' ' 55' ' ' THR . 94.8 mt-30 -59.68 -41.52 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.976 . . . . 0.0 109.748 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 29' ' ' LEU . 7.0 mp -65.72 -39.63 91.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.97 -1.081 . . . . 0.0 109.117 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 23.2 t80 -64.93 -44.07 90.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 110.318 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.54 87.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.034 -1.041 . . . . 0.0 110.11 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.42 -46.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.458 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.36 -32.24 73.61 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.09 -46.05 92.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.52 -45.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 0.0 109.481 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 36' ' ' LEU . 87.6 mt -64.43 -37.45 87.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.346 -0.846 . . . . 0.0 109.583 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.0 p -68.24 -13.82 62.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -86.79 123.83 32.37 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.479 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.829 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.11 125.72 34.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.0 110.02 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -138.61 143.53 39.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.299 -0.876 . . . . 0.0 109.683 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.13 159.34 20.17 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -52.93 -34.79 56.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.86 -1.15 . . . . 0.0 108.505 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.11 -42.25 72.91 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.296 -0.878 . . . . 0.0 109.908 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.3 mtp -70.37 -41.1 73.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.044 -1.035 . . . . 0.0 109.776 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.1 m -61.92 -42.44 99.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 0.0 109.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -34.23 77.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.369 -0.832 . . . . 0.0 109.793 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 109.601 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.02 88.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 m -62.28 -45.56 92.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 110.416 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.36 -38.1 73.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.731 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.28 -39.65 95.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 mt -58.3 -38.98 78.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.286 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.82 -42.36 98.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.214 -0.929 . . . . 0.0 108.945 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.58 HG21 HE22 ' A' ' 28' ' ' GLN . 81.7 m -64.9 -45.91 83.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.467 -0.771 . . . . 0.0 109.805 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.22 -47.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.507 -0.746 . . . . 0.0 109.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.67 -38.33 90.61 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.055 -1.028 . . . . 0.0 109.054 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -41.42 74.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 108.887 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 64.0 t80 -66.15 -48.93 69.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.42 -0.8 . . . . 0.0 109.642 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.3 tttt -65.51 -41.62 92.99 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.299 -0.876 . . . . 0.0 109.077 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -63.07 -33.77 76.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.51 -31.15 67.63 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 63' ' ' ILE . 78.7 mt -124.24 8.15 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.634 -0.666 . . . . 0.0 109.912 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.25 -37.98 60.68 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 1.43 64.35 Favored Glycine 0 N--CA 1.489 2.213 0 O-C-N 121.199 -1.177 . . . . 0.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.15 -38.7 77.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.894 -1.356 . . . . 0.0 108.95 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -29.14 1.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.16 -30.7 71.8 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.35 81.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.379 -0.826 . . . . 0.0 109.266 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -43.51 81.98 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.35 -39.26 92.12 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -161.29 97.6 1.12 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.87 7.23 46.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.537 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -95.35 -76.05 0.5 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.3 p -67.23 -39.06 86.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.39 -0.818 . . . . 0.0 111.194 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 63' ' ' ILE . 35.8 tp -67.35 -34.97 78.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.551 -1.343 . . . . 0.0 109.619 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.7 t60 -59.96 -45.18 93.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.59 -43.24 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.046 -1.034 . . . . 0.0 108.355 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.714 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.3 ttt -58.77 -36.73 74.88 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.589 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.74 -32.76 72.03 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.536 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.589 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 28.0 m -57.01 -37.47 71.75 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.8 mt -60.17 -42.04 94.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.519 -0.738 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.563 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.9 mt -84.09 -45.4 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.937 . . . . 0.0 111.209 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.434 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 76.7 m80 -72.49 -46.22 55.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 111.214 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.27 99.92 9.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.867 -1.146 . . . . 0.0 109.705 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 84' ' ' HIS . 4.1 mp0 -64.46 -36.48 84.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -47.46 83.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.237 -0.915 . . . . 0.0 110.112 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -66.38 -42.84 87.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.0 109.096 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.16 -37.96 89.27 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.12 72.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.37 -45.39 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.222 -0.924 . . . . 0.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.63 -44.82 95.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.89 . . . . 0.0 109.069 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.7 -41.34 99.08 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.36 -39.91 94.68 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.765 ' OD1' HD12 ' B' ' 143' ' ' LEU . 3.7 t30 -62.02 -46.05 90.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.401 -0.812 . . . . 0.0 109.526 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.52 -48.1 78.94 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.339 -0.851 . . . . 0.0 109.12 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.654 ' OG1' HD11 ' A' ' 131' ' ' ILE . 38.8 m -63.04 -45.67 91.19 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.394 -0.816 . . . . 0.0 109.167 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.413 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.8 mmm -64.69 -39.4 93.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.192 -0.942 . . . . 0.0 109.415 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 m -62.42 -46.63 87.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.265 -0.897 . . . . 0.0 109.206 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD21 ' SG ' ' A' ' 124' ' ' CYS . 59.0 tp -66.65 -45.12 80.02 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.755 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.67 -41.19 97.21 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.577 -0.702 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.93 -39.91 93.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 110.271 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.46 -40.74 96.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 110.058 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 42.3 mmtt -64.04 -45.28 89.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.028 -1.045 . . . . 0.0 109.569 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TYR . 45.6 mt -67.82 -36.66 80.78 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.59 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 29.8 tttp -61.29 -45.53 94.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.4 -36.61 82.88 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.79 -33.01 68.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.497 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 63.4 tttt -59.24 -41.27 88.36 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.686 -0.634 . . . . 0.0 109.945 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.8 m-20 -167.56 -5.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.171 -0.956 . . . . 0.0 111.225 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.5 157.67 49.85 Favored Glycine 0 N--CA 1.493 2.499 0 O-C-N 120.627 -1.296 . . . . 0.0 110.039 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.45 137.67 61.31 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.779 2.319 . . . . 0.0 112.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.447 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.22 136.33 46.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.23 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -157.3 171.97 19.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.984 . . . . 0.0 110.327 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.56 -38.73 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 59.9 ttp -54.86 -42.54 72.13 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.827 -1.17 . . . . 0.0 108.711 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.29 -35.54 79.35 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.282 -0.887 . . . . 0.0 108.994 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 158' ' ' LEU . 72.7 tttt -57.79 -47.28 83.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -67.09 -39.81 86.85 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.419 -0.8 . . . . 0.0 109.969 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.9 t -63.79 -38.97 93.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.246 -0.909 . . . . 0.0 109.819 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.7 mt -61.46 -41.93 97.98 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.202 -0.936 . . . . 0.0 109.406 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.866 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.9 m95 -62.43 -37.36 85.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 108.845 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.37 92.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.422 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.561 ' SG ' HD21 ' A' ' 100' ' ' LEU . 56.5 m -63.26 -39.88 95.85 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.265 -0.897 . . . . 0.0 109.69 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 90.8 mt -57.96 -42.18 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.907 . . . . 0.0 110.039 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.39 -40.29 90.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 109.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.73 -40.66 95.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.465 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.5 m-85 -64.28 -43.83 93.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.941 -1.1 . . . . 0.0 110.141 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 m -62.17 -36.38 81.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 110.034 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.686 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.88 -42.13 90.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.153 -0.967 . . . . 0.0 109.803 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.7 mt -59.57 -44.54 93.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.09 -1.006 . . . . 0.0 110.047 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 147' ' ' LEU . 93.0 mt -72.04 -44.88 62.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.136 -0.978 . . . . 0.0 110.361 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -67.78 -46.09 73.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 110.972 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.686 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.6 mt -63.82 -32.35 73.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.94 . . . . 0.0 111.411 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -129.57 52.64 1.97 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.022 -1.049 . . . . 0.0 111.035 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -62.47 -38.27 89.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 109.336 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.499 -0.751 . . . . 0.0 111.558 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -91.94 1.1 57.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.673 -1.267 . . . . 0.0 110.595 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.434 HD13 HD23 ' A' ' 132' ' ' LEU . 79.9 mt -118.29 128.04 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.344 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.2 m -70.74 159.84 33.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.281 -0.887 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.23 -40.25 96.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.6 m -64.63 -44.97 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.0 109.634 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 m -62.62 -38.65 91.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.0 109.438 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.766 HG23 HD22 ' A' ' 132' ' ' LEU . 55.9 m -61.84 -40.18 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.455 -0.778 . . . . 0.0 109.575 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.94 -38.77 76.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 109.904 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.89 -42.54 99.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 132' ' ' LEU . 85.8 mt -67.03 -40.96 87.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.86 -36.94 80.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.533 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.26 -39.82 94.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.076 -1.015 . . . . 0.0 108.916 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.413 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 91.2 mtt180 -61.4 -41.91 97.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 109.124 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.8 mt -64.66 -40.53 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.591 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.3 mmtt -60.8 -40.35 92.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.691 -0.631 . . . . 0.0 109.738 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.661 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.8 t80 -56.69 -43.63 80.66 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.408 -0.807 . . . . 0.0 108.956 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -40.59 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -58.57 -44.0 89.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.64 -50.59 48.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.225 -0.922 . . . . 0.0 110.733 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.9 m-85 -66.61 -35.62 80.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 110.472 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.866 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.9 tp -59.8 -38.13 81.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 108.444 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -67.12 -44.73 79.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -61.28 -38.47 86.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.459 -0.775 . . . . 0.0 109.384 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.5 mt -64.39 -42.13 96.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 109.725 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.601 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.72 -24.63 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.706 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.5 mtpt -83.87 -4.07 58.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.296 -0.877 . . . . 0.0 109.798 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.75 12.39 84.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.91 -29.65 61.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.2 mm -106.92 132.12 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.194 -0.941 . . . . 0.0 109.102 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 CA-C-O 118.029 -1.429 . . . . 0.0 109.575 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.55 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.446 ' N ' HG22 ' B' ' 128' ' ' ILE . 73.5 m-20 -75.44 19.92 0.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.66 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.75 -42.48 96.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.558 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.5 m-20 -75.63 -43.18 49.2 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.889 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -65.66 -39.36 91.27 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.417 0.627 . . . . 0.0 110.089 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.431 -0.793 . . . . 0.0 110.124 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 84.5 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.756 0.789 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.568 HD22 ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -59.69 -33.18 71.25 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.173 -0.954 . . . . 0.0 108.513 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.01 -36.36 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.495 -0.753 . . . . 0.0 108.97 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.765 HD12 ' OD1' ' A' ' 95' ' ' ASN . 3.6 mm? -60.16 -37.85 81.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.089 -1.007 . . . . 0.0 108.673 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.85 -30.08 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.24 -37.53 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -59.67 -36.29 76.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.6 -32.51 81.65 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -55.94 -39.27 71.46 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.033 -1.275 . . . . 0.0 107.984 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 75.3 tt0 -60.6 -33.97 73.52 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.682 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.1 tt -54.89 -44.51 74.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.53 -39.46 91.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.375 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.557 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 10.8 tm-20 -61.54 -38.38 87.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.779 . . . . 0.0 109.821 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 109' ' ' LYS . 28.9 t -63.25 -50.33 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.076 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.661 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.5 mm? -66.57 -33.15 75.03 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.222 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.11 99.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.323 -0.861 . . . . 0.0 109.665 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.557 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 41.7 mtt -66.63 -38.7 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.945 -1.097 . . . . 0.0 109.699 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.73 -38.85 86.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.22 -0.925 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 158' ' ' ASN . 1.3 p30 170.86 106.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.508 -0.745 . . . . 0.0 109.03 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.83 -35.91 71.55 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.023 -1.048 . . . . 0.0 109.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.6 p -84.13 3.37 35.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.95 97.9 0.07 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -121.97 153.45 38.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.93 . . . . 0.0 109.018 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.707 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.6 mp -55.32 -33.65 63.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 109.48 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.41 -32.33 70.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.24 -0.913 . . . . 0.0 109.599 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.27 -23.62 57.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.354 -0.841 . . . . 0.0 109.791 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 35.9 mt -102.6 134.29 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.943 . . . . 0.0 108.85 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 71.4 m -58.61 71.94 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.482 -0.761 . . . . 0.0 110.226 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.9 t0 -64.9 -39.07 92.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.47 79.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 0.0 111.282 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 170' ' ' GLU . . . . . 0.442 ' OE2' ' CD ' ' B' ' 174' ' ' GLU . 1.3 tm-20 -71.25 -43.39 67.34 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.876 -1.14 . . . . 0.0 109.838 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 171' ' ' LEU . 96.5 mt -63.15 -38.04 89.59 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.527 -0.733 . . . . 0.0 110.123 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.591 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.3 m-20 -60.22 -42.64 95.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 0.0 110.587 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.62 82.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.002 -1.061 . . . . 0.0 110.052 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.62 -36.5 84.45 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.44 -35.48 80.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.981 -1.074 . . . . 0.0 110.691 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 25.0 m-20 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.393 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.601 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.8 mt -66.0 -35.35 80.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.871 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.98 -41.32 71.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.97 -1.081 . . . . 0.0 108.255 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.75 -33.64 74.41 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -61.19 -40.59 94.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.443 -0.785 . . . . 0.0 110.394 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.8 -17.47 23.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 110.465 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.3 -1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.304 -179.456 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.7 m-20 -60.45 -36.53 78.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.319 -0.863 . . . . 0.0 109.354 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.53 -41.08 96.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.848 . . . . 0.0 109.518 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 -48.13 61.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.846 . . . . 0.0 109.974 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 50.2 ttt-85 -59.88 -41.97 92.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.954 . . . . 0.0 109.478 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 4' ' ' ASN . 79.4 t -60.85 -41.86 90.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.599 -0.688 . . . . 0.0 109.145 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.4 t -65.65 -47.18 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.894 . . . . 0.0 109.476 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.13 84.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.027 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 86.3 m -62.54 -38.69 91.0 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.384 -0.822 . . . . 0.0 108.968 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.23 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.353 -0.842 . . . . 0.0 109.042 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -61.55 -32.08 72.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.355 -0.84 . . . . 0.0 109.471 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -60.89 -41.66 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.87 . . . . 0.0 109.698 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -63.95 -38.8 92.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.323 -0.861 . . . . 0.0 109.958 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.15 -39.79 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.963 -1.086 . . . . 0.0 109.187 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -61.52 -32.97 73.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.429 -0.794 . . . . 0.0 109.978 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.14 -0.53 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.115 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.77 4.37 63.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 20' ' ' LEU . 80.8 mt -101.6 41.37 1.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -1.167 . . . . 0.0 109.17 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.54 -32.01 37.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.677 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.1 mt -57.28 -42.5 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.952 -1.322 . . . . 0.0 109.063 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.88 -48.13 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.934 -1.104 . . . . 0.0 108.573 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.45 81.07 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.35 -46.6 85.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -1.12 . . . . 0.0 109.73 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 27.7 m-85 -67.18 -36.97 82.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.852 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.96 -41.17 99.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 109.803 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.433 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -61.95 -40.35 95.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.071 -1.018 . . . . 0.0 108.921 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.68 -39.17 93.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.478 -0.764 . . . . 0.0 108.972 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -64.85 -46.88 80.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.71 81.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.97 -50.58 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.09 -1.006 . . . . 0.0 109.675 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -66.95 -30.28 70.37 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 6.1 tp -60.14 -45.02 94.45 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.23 -44.21 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.306 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.62 -37.46 87.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.499 -0.751 . . . . 0.0 109.822 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.4 m -77.14 1.32 18.62 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.431 -0.793 . . . . 0.0 109.235 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -93.27 125.25 37.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.309 -0.869 . . . . 0.0 109.297 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.7 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -92.59 125.73 37.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.136 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -136.27 143.34 44.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.669 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.16 159.38 20.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -52.89 -34.65 55.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.832 -1.167 . . . . 0.0 108.46 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -68.68 -41.0 79.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.947 -1.095 . . . . 0.0 109.82 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -62.79 -43.86 97.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.79 72.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.79 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.23 -39.56 93.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.268 -0.895 . . . . 0.0 109.758 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.23 91.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 m -60.71 -45.92 92.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.471 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.39 -37.58 75.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 109.596 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 52' ' ' LEU . 95.2 mt -63.78 -37.13 86.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.883 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.75 -38.56 78.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 0.0 109.26 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.33 -44.16 97.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 109.511 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.433 HG21 HE22 ' A' ' 28' ' ' GLN . 53.8 m -68.25 -48.62 64.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 0.0 109.713 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.5 mt -60.57 -47.62 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -42.07 92.56 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 109.093 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.32 87.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.166 -0.959 . . . . 0.0 109.013 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.4 t80 -62.59 -47.94 81.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.487 -0.758 . . . . 0.0 109.951 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.1 tttt -63.6 -43.56 96.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.798 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -63.31 -33.16 74.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 108.688 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.83 -31.01 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.399 -0.813 . . . . 0.0 108.85 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 HD11 ' A' ' 76' ' ' LEU . 71.8 mt -124.14 7.95 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.557 -0.714 . . . . 0.0 109.693 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.94 -38.13 73.51 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 2.85 63.49 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.67 -36.67 79.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.975 -1.309 . . . . 0.0 108.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 -31.27 1.27 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.84 -30.6 71.68 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.57 81.86 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.394 -0.816 . . . . 0.0 109.193 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.55 -43.58 80.05 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.49 -39.28 91.72 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.0 t -159.34 96.17 1.28 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.56 8.26 44.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 109.65 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -98.55 -75.28 0.56 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 110.112 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.9 p -67.08 -40.55 87.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.341 -0.849 . . . . 0.0 111.325 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.691 HD11 HG23 ' A' ' 63' ' ' ILE . 35.2 tp -66.08 -35.53 80.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.535 -1.353 . . . . 0.0 109.582 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -59.57 -44.56 93.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.175 -0.953 . . . . 0.0 109.155 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.576 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.98 -44.5 97.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.677 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.0 ttt -58.9 -36.58 74.93 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.65 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 9.3 t-20 -60.13 -33.02 71.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 m -57.53 -38.52 74.82 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.7 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 72.2 mt -60.06 -40.86 90.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.555 -0.716 . . . . 0.0 109.562 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 25' ' ' TYR . 96.3 mt -82.56 -45.12 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.191 -0.943 . . . . 0.0 111.557 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.65 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 41.8 m-70 -77.58 -45.72 24.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 111.408 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -76.55 98.14 4.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.853 -1.154 . . . . 0.0 109.118 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.12 -37.45 87.5 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.05 -47.38 83.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.0 110.068 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.29 -43.21 86.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 0.0 109.339 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.73 -37.84 88.85 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 108.794 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -45.64 72.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.461 -0.775 . . . . 0.0 109.68 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.83 -43.67 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.0 109.487 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -44.12 90.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.15 -0.969 . . . . 0.0 109.5 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.35 -42.47 99.42 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.46 -41.29 96.62 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 89.9 m-20 -62.86 -42.03 99.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.366 -0.834 . . . . 0.0 109.391 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -65.36 -49.35 69.7 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.837 . . . . 0.0 109.017 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.537 ' OG1' HD11 ' A' ' 131' ' ' ILE . 60.0 m -63.54 -44.53 93.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.459 -0.776 . . . . 0.0 109.175 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.659 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 89.5 mmm -63.07 -38.85 92.84 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.255 -0.903 . . . . 0.0 109.49 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -61.82 -46.4 89.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 43.6 tp -66.15 -43.04 88.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.802 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 40.9 t80 -61.68 -41.43 97.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.533 -0.73 . . . . 0.0 109.57 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -40.57 95.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.198 -0.939 . . . . 0.0 109.801 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.648 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.412 ' HZ2' ' CB ' ' A' ' 120' ' ' SER . 12.9 mmtt -63.62 -45.52 89.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -0.937 . . . . 0.0 109.68 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.802 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 61.1 mt -69.12 -35.7 76.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.095 -1.003 . . . . 0.0 108.599 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.569 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.5 tttp -59.78 -44.48 93.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' OE1' HD13 ' A' ' 117' ' ' LEU . 41.9 tt0 -63.95 -37.38 87.19 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.865 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -59.96 -32.13 70.52 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.654 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -58.86 -39.87 82.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.581 -0.7 . . . . 0.0 110.196 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.35 -24.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.182 -0.949 . . . . 0.0 110.266 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.24 156.98 1.43 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.83 141.39 89.9 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.891 2.394 . . . . 0.0 112.812 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.417 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.7 m-90 -106.13 138.15 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 108.886 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.17 173.02 17.44 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.919 -1.113 . . . . 0.0 110.42 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.37 -39.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.1 ttp -54.05 -41.99 68.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.993 -1.067 . . . . 0.0 108.231 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.796 HD13 ' OE1' ' A' ' 107' ' ' GLN . 46.6 tp -61.91 -36.95 82.86 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.424 -0.797 . . . . 0.0 109.074 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 85.2 tttt -57.64 -47.58 81.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.411 -0.806 . . . . 0.0 109.785 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -68.58 -37.48 79.89 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.576 -0.703 . . . . 0.0 110.324 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 87.0 p -62.31 -39.16 92.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.236 -0.915 . . . . 0.0 110.307 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.14 -40.27 95.8 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.006 -1.059 . . . . 0.0 109.211 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.843 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.7 m95 -62.35 -38.02 87.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.297 -0.877 . . . . 0.0 109.112 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -40.57 87.35 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.523 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.555 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 74.8 m -62.54 -40.69 97.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.869 . . . . 0.0 109.651 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.572 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -58.02 -42.24 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.31 -0.868 . . . . 0.0 109.898 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.13 -41.36 96.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.193 -0.942 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.47 -40.39 96.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 110.176 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.685 ' HB3' HD11 ' A' ' 151' ' ' ILE . 26.3 m-85 -64.96 -44.11 90.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 110.044 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.5 m -60.99 -36.39 79.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.739 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.65 -43.57 84.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.892 . . . . 0.0 109.77 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.585 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 98.7 mt -59.38 -42.22 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.082 -1.011 . . . . 0.0 110.202 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 147' ' ' LEU . 94.8 mt -67.75 -45.12 75.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 0.0 110.208 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.455 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.4 t60 -69.93 -43.19 72.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 111.294 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.2 mt -59.36 -32.47 70.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.218 -0.926 . . . . 0.0 111.496 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -142.21 59.85 1.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.737 -1.227 . . . . 0.0 110.99 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -61.74 -38.27 87.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 109.039 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.25 -27.15 66.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.637 -0.664 . . . . 0.0 111.158 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -91.71 -0.43 57.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.798 -1.188 . . . . 0.0 110.4 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.31 126.06 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.866 . . . . 0.0 108.927 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.85 159.76 34.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 109.539 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.4 -40.27 95.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.32 -0.862 . . . . 0.0 109.419 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.9 m -63.88 -45.69 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.364 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 m -63.47 -38.35 90.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.096 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 132' ' ' LEU . 43.8 m -61.51 -39.69 91.91 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.419 -0.801 . . . . 0.0 109.445 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -57.96 -40.01 79.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.783 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 t -62.0 -40.69 96.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.0 109.038 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 132' ' ' LEU . 86.5 mt -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.491 -0.756 . . . . 0.0 109.593 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.53 -37.32 80.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 109.478 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.713 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.6 tttt -62.13 -41.05 97.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.01 . . . . 0.0 108.549 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.659 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.0 mtt180 -62.42 -42.89 99.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.35 -0.844 . . . . 0.0 108.799 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.7 mt -67.25 -46.96 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 17.7 mmtt -61.07 -37.29 82.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.633 -0.667 . . . . 0.0 109.372 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.776 ' OH ' HD11 ' B' ' 154' ' ' LEU . 8.3 t80 -56.22 -43.8 78.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 25.3 m -66.24 -42.13 89.04 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.56 -44.09 89.59 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.446 -0.784 . . . . 0.0 109.726 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.5 HD12 HD22 ' B' ' 163' ' ' LEU . 80.8 mt -69.61 -50.17 52.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 110.507 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.865 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.83 -36.63 82.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.197 -0.939 . . . . 0.0 110.467 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.843 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.0 tp -60.39 -37.51 81.02 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.9 m -66.64 -45.17 79.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.937 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -60.37 -37.19 79.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.42 -0.8 . . . . 0.0 109.695 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 158' ' ' LEU . 15.3 mt -59.68 -35.33 74.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.193 -0.942 . . . . 0.0 108.529 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.65 71.29 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.556 -0.715 . . . . 0.0 109.662 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.453 ' HE3' HD21 ' B' ' 171' ' ' LEU . 49.7 mttm -77.96 -16.29 58.28 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.052 -1.03 . . . . 0.0 109.011 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.03 11.25 76.81 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.63 -29.16 61.18 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.548 -0.972 . . . . 0.0 109.93 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.4 mm -101.94 131.18 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.092 -1.005 . . . . 0.0 109.031 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.646 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.56 ' C ' ' H ' ' B' ' 130' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.559 ' OD1' HG22 ' B' ' 128' ' ' ILE . 36.8 m-20 -75.34 19.95 0.16 Allowed 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.576 HD12 HG22 ' A' ' 78' ' ' VAL . 20.6 tt -66.51 -42.1 89.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.554 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.9 m-20 -69.82 -41.91 74.35 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.698 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -66.81 -46.01 76.56 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.674 0.749 . . . . 0.0 109.057 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.887 0.851 . . . . 0.0 109.527 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 52.8 mtp . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.739 0.781 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.0 -34.44 78.11 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.325 -0.86 . . . . 0.0 108.89 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.02 -37.54 80.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.78 -33.99 69.12 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.56 -30.61 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.16 -0.963 . . . . 0.0 108.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.02 -38.36 70.41 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -59.25 -36.51 75.62 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.42 81.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -55.79 -39.64 71.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.041 -1.27 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.569 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 tt0 -60.47 -34.16 73.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.696 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.8 tt -55.26 -44.66 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.08 -41.42 96.61 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 0.0 108.819 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.564 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.9 -38.34 88.01 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.701 -0.624 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 33.3 t -64.75 -50.67 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 110.24 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.776 HD11 ' OH ' ' A' ' 153' ' ' TYR . 1.3 mm? -67.01 -33.24 75.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.126 -0.984 . . . . 0.0 109.169 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.06 97.82 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.654 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 83.7 mtp -64.7 -37.2 86.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.0 t-20 -60.4 -38.89 85.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 109.363 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.64 106.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.401 -0.812 . . . . 0.0 109.217 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.33 -35.58 72.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.161 -0.962 . . . . 0.0 109.193 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.4 p -82.37 0.68 40.78 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -60.92 99.36 0.19 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -114.93 152.03 33.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.481 -1.011 . . . . 0.0 109.34 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 149' ' ' LYS . 40.4 mt -55.06 -32.74 62.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -0.907 . . . . 0.0 109.463 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -58.92 -30.39 67.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.9 . . . . 0.0 109.371 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -75.45 -21.19 58.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.613 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.1 mt -101.82 131.71 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.22 -0.925 . . . . 0.0 108.784 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 66.6 m -58.06 72.43 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 0.0 110.392 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.3 t0 -64.2 -36.67 84.84 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.011 -1.055 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.28 71.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.016 -1.053 . . . . 0.0 112.014 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.9 67.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.752 -1.218 . . . . 0.0 109.823 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.453 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.5 mt -62.36 -38.61 90.23 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.676 -0.64 . . . . 0.0 110.531 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 90.8 m-20 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.136 -0.977 . . . . 0.0 110.496 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.47 86.05 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.007 -1.058 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.08 -37.62 86.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.235 -0.916 . . . . 0.0 110.298 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 158' ' ' LEU . 17.3 tp -67.77 -35.19 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.957 -1.089 . . . . 0.0 110.439 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 33.0 m-20 -61.67 -36.84 81.98 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.81 71.37 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.075 -1.016 . . . . 0.0 108.339 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.07 -37.14 83.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.49 -0.756 . . . . 0.0 110.067 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.461 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -57.56 -43.27 84.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.56 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.56 -36.71 81.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.353 -0.842 . . . . 0.0 109.445 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.8 tm-20 -70.77 -45.42 64.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.325 -0.859 . . . . 0.0 110.169 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.3 m-20 -70.13 -36.63 74.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.121 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.3 -1.573 0 O-C-N 121.448 -0.782 . . . . 0.0 109.223 -179.519 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 8' ' ' VAL . 23.6 m120 -60.62 -36.55 78.89 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.307 -0.87 . . . . 0.0 109.38 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.593 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.96 -39.6 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.319 -0.863 . . . . 0.0 109.583 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.6 88.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.919 . . . . 0.0 110.064 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 46.8 ttt-85 -59.89 -41.34 91.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.133 -0.979 . . . . 0.0 109.287 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.57 HG11 ' HD2' ' A' ' 30' ' ' TYR . 98.0 t -60.63 -40.36 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.38 -47.61 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.188 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.66 82.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.285 -0.884 . . . . 0.0 108.713 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 47.1 m -61.39 -38.65 87.81 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -39.19 80.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.402 -0.811 . . . . 0.0 108.841 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -60.54 -33.27 72.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.376 -0.828 . . . . 0.0 109.139 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.37 -38.89 85.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 109.215 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' HG21 ' A' ' 23' ' ' ILE . 60.4 m-85 -63.06 -43.47 98.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.248 -0.907 . . . . 0.0 108.85 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.36 -41.45 97.08 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.98 -29.04 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.86 -9.44 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.516 -0.74 . . . . 0.0 109.473 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.29 4.73 62.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' H ' HG12 ' A' ' 18' ' ' VAL . 94.2 mt -103.94 58.77 0.73 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -1.172 . . . . 0.0 109.151 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.88 62.77 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.686 HD11 ' CE ' ' A' ' 79' ' ' MET . 69.1 mt -57.47 -43.4 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.95 -1.323 . . . . 0.0 109.585 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.556 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.1 mm -67.69 -47.47 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.041 -1.037 . . . . 0.0 108.797 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.43 84.11 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 73.0 t80 -58.24 -47.88 82.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -1.036 . . . . 0.0 109.96 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.4 m-85 -66.41 -34.92 79.03 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.081 -1.012 . . . . 0.0 109.814 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 87.4 mt -63.65 -36.89 85.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.56 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.82 -41.63 87.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.098 -1.001 . . . . 0.0 108.968 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -66.7 -37.5 84.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.175 -0.953 . . . . 0.0 108.823 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.701 ' O ' HD13 ' A' ' 34' ' ' LEU . 72.4 t80 -60.72 -46.08 91.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.523 -0.736 . . . . 0.0 110.546 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.87 85.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 110.092 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.992 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -65.2 -33.36 75.81 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.431 -0.793 . . . . 0.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.7 mp -61.23 -45.5 94.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.553 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.83 -45.5 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.893 . . . . 0.0 109.388 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.64 -36.57 84.68 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.396 -0.815 . . . . 0.0 109.696 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -68.04 -14.3 62.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -91.06 123.74 34.76 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.508 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.383 -0.823 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.96 125.85 32.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.177 -0.952 . . . . 0.0 110.009 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.69 144.27 37.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.605 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 55.0 m -114.1 160.39 18.99 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.89 -34.84 56.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.974 -1.079 . . . . 0.0 108.533 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.15 -44.57 68.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.269 -0.894 . . . . 0.0 109.815 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -69.82 -40.9 75.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.957 -1.089 . . . . 0.0 109.981 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 m -63.08 -42.86 99.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.755 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.43 76.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.814 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.33 -40.63 96.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.286 -0.884 . . . . 0.0 109.659 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.06 92.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.13 -0.982 . . . . 0.0 109.527 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.66 -45.85 92.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.422 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -38.31 77.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.229 -0.92 . . . . 0.0 109.908 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.0 mt -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.1 -1.0 . . . . 0.0 109.977 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.82 -40.47 84.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.979 -1.076 . . . . 0.0 109.394 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.9 -42.19 99.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.29 -0.881 . . . . 0.0 109.308 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 m -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.1 mp -55.81 -51.22 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.077 -1.015 . . . . 0.0 109.204 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.04 -38.49 88.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -0.93 . . . . 0.0 109.584 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.72 88.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.165 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.25 -48.93 60.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.368 -0.833 . . . . 0.0 109.65 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.8 tttt -64.08 -39.68 94.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.377 -0.827 . . . . 0.0 109.34 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -62.91 -33.96 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.98 -31.49 68.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.516 -0.74 . . . . 0.0 109.165 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 63' ' ' ILE . 76.0 mt -123.63 9.72 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.559 -0.713 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.24 -37.92 55.78 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.78 3.06 64.48 Favored Glycine 0 N--CA 1.489 2.214 0 O-C-N 121.217 -1.167 . . . . 0.0 110.282 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.78 -37.15 83.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.041 -1.27 . . . . 0.0 109.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.92 -29.66 1.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.47 -31.33 72.46 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.77 81.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.504 -0.747 . . . . 0.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.67 -44.13 81.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.608 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.72 -39.68 94.06 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -158.49 94.89 1.3 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.2 p30 -93.06 6.44 47.96 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.93 . . . . 0.0 109.675 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -95.53 -74.83 0.54 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.279 -0.888 . . . . 0.0 110.008 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -67.16 -38.15 84.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.416 -0.803 . . . . 0.0 111.393 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.514 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -70.81 -36.48 72.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.547 -1.346 . . . . 0.0 109.726 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.42 -45.32 94.06 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.652 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.76 93.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.372 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.7 ttt -58.85 -36.46 74.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.94 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -56.92 -37.68 71.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 59.3 mt -60.26 -40.88 91.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.458 -0.776 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.544 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.2 mt -85.68 -45.49 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.258 -0.901 . . . . 0.0 111.361 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.26 -46.29 50.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 0.0 111.195 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.28 100.95 9.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.836 -1.165 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.55 -37.27 86.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.468 -0.77 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.8 -47.46 83.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 110.411 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.539 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 75.7 tttt -66.1 -41.8 90.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.327 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.4 -37.76 88.54 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.289 -0.882 . . . . 0.0 108.795 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -45.77 68.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.658 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.76 -46.14 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.927 . . . . 0.0 109.907 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -62.85 -44.21 96.72 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.141 -0.974 . . . . 0.0 109.384 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.93 -43.23 99.37 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.161 -0.962 . . . . 0.0 108.879 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.94 -42.16 99.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.471 -0.768 . . . . 0.0 109.051 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' O ' ' OG ' ' A' ' 99' ' ' SER . 94.8 m-20 -62.6 -41.02 98.72 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.536 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.19 -49.36 70.05 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.237 -0.914 . . . . 0.0 108.944 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.502 ' OG1' HD11 ' A' ' 131' ' ' ILE . 61.1 m -63.27 -45.32 92.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.402 -0.811 . . . . 0.0 108.893 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.653 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.5 mmm -63.21 -39.51 94.84 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.336 -0.853 . . . . 0.0 109.423 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.4 m -62.65 -46.45 88.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.008 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 57.1 tp -66.38 -44.41 83.22 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.6 t80 -61.62 -41.56 97.64 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.567 -0.708 . . . . 0.0 109.695 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 46.3 t30 -61.86 -39.56 92.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.297 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.35 -39.82 94.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.134 -0.979 . . . . 0.0 109.971 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.718 ' HZ1' ' CB ' ' A' ' 120' ' ' SER . 29.4 mmtp -63.6 -45.2 91.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.077 -1.014 . . . . 0.0 109.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CG ' ' B' ' 150' ' ' LEU . 34.0 mt -67.09 -36.6 82.31 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.885 -1.135 . . . . 0.0 108.176 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 14.2 tttt -60.56 -46.03 91.71 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.33 -36.87 83.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.6 tp -58.03 -33.15 68.67 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 16.6 tttt -59.18 -39.36 82.31 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.756 -0.59 . . . . 0.0 110.016 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.24 -20.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.155 -0.966 . . . . 0.0 110.924 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.94 158.03 3.14 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.19 138.96 69.72 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.937 2.424 . . . . 0.0 112.609 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.3 m-90 -106.58 135.84 47.4 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -157.56 172.06 19.23 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.939 -1.101 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.4 t -55.65 -38.86 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.6 ttm -54.98 -42.45 72.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.982 -1.074 . . . . 0.0 108.687 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.474 HD11 ' HD2' ' A' ' 104' ' ' LYS . 35.1 tp -62.33 -35.76 80.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.951 . . . . 0.0 109.004 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HG3' HD11 ' A' ' 158' ' ' LEU . 76.6 tttt -57.34 -47.1 82.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.489 -0.757 . . . . 0.0 109.998 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -67.72 -39.76 84.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.38 -0.825 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.718 ' CB ' ' HZ1' ' A' ' 104' ' ' LYS . 14.8 m -62.92 -39.88 95.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.868 . . . . 0.0 109.931 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 104' ' ' LYS . 85.9 mt -61.88 -40.6 95.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.207 -0.933 . . . . 0.0 109.197 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.836 ' NE1' HD21 ' A' ' 158' ' ' LEU . 42.0 m95 -63.44 -38.55 91.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.26 -0.9 . . . . 0.0 109.077 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.66 -39.73 91.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.529 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 66.6 m -62.96 -40.22 97.02 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.624 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -58.56 -42.02 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.3 -40.2 89.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.087 -1.008 . . . . 0.0 109.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.72 -39.18 93.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 110.421 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.8 m-85 -64.72 -44.75 89.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 110.128 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -62.34 -36.47 82.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 109.868 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.543 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 95.8 m -64.62 -43.17 94.59 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.984 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.502 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.9 mt -58.97 -45.09 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 110.139 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -67.85 -41.81 82.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.014 -1.054 . . . . 0.0 109.826 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.503 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.6 t60 -70.08 -45.24 67.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.487 -0.758 . . . . 0.0 110.706 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 88.9 mt -62.59 -34.09 76.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.332 -0.855 . . . . 0.0 111.439 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -140.1 55.56 1.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.759 -1.213 . . . . 0.0 110.632 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -38.22 89.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.258 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.76 -25.72 66.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.47 -0.769 . . . . 0.0 110.786 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -91.46 1.21 57.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.836 -1.165 . . . . 0.0 110.142 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.03 130.91 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 109.183 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 m -70.5 159.91 33.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.932 . . . . 0.0 109.391 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.64 -38.06 89.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.96 . . . . 0.0 109.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.9 m -64.31 -44.88 90.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.905 . . . . 0.0 109.425 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 m -63.48 -39.1 93.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.351 -0.843 . . . . 0.0 109.386 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.575 HG23 HD22 ' A' ' 132' ' ' LEU . 51.4 m -61.71 -39.59 92.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.0 109.62 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.68 -41.19 81.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.288 -0.882 . . . . 0.0 109.587 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.99 -40.83 97.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.376 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -66.05 -41.61 90.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.391 -0.818 . . . . 0.0 109.74 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.41 -38.36 86.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.467 -0.771 . . . . 0.0 109.446 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.64 -40.65 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.653 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.5 mtt180 -61.18 -42.58 98.82 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.293 -0.879 . . . . 0.0 109.27 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.92 -40.88 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.7 mmtt -61.09 -39.65 90.74 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.398 0.618 . . . . 0.0 109.862 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 48.6 t80 -57.86 -43.71 86.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.491 -0.756 . . . . 0.0 109.149 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.45 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -65.43 -40.59 93.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 108.943 179.35 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.69 -43.8 90.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.416 -0.803 . . . . 0.0 109.631 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.559 HG23 HD13 ' B' ' 171' ' ' LEU . 97.2 mt -69.4 -50.46 51.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 111.03 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.83 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.56 -35.6 80.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 110.38 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.836 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.9 tp -59.89 -36.01 76.04 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 108.518 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 59.2 p -69.04 -44.32 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 110.048 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -63.19 -37.41 87.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.772 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 158' ' ' LEU . 21.5 mt -60.26 -36.79 78.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.22 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.637 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.6 -26.66 65.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.331 -0.855 . . . . 0.0 109.959 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.59 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 27.6 mttt -77.97 -16.27 58.28 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.077 -1.014 . . . . 0.0 109.43 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.23 10.21 80.67 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.239 -1.945 . . . . 0.0 108.239 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.52 -27.75 60.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.549 -0.971 . . . . 0.0 109.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 16.6 mm -101.78 126.39 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.992 . . . . 0.0 108.829 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.512 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' B' ' 130' ' ' ILE . 72.8 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.495 ' N ' HG22 ' B' ' 128' ' ' ILE . 20.2 p30 -73.58 20.25 0.1 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.652 HD12 HG22 ' A' ' 78' ' ' VAL . 19.4 tt -63.23 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.584 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -71.94 -41.46 67.79 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.829 0.823 . . . . 0.0 108.785 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -66.97 -41.34 87.03 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.468 0.651 . . . . 0.0 109.953 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.444 -0.785 . . . . 0.0 110.26 -179.089 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.728 0.775 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.596 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -56.85 -33.68 67.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.121 -0.987 . . . . 0.0 109.212 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.21 -37.6 77.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.197 -0.939 . . . . 0.0 108.96 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.75 -34.01 70.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.356 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.596 HD12 HD13 ' B' ' 141' ' ' LEU . 52.8 mt -67.8 -29.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.006 -1.059 . . . . 0.0 108.324 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.47 -38.34 74.34 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 92.4 mt-30 -59.44 -35.95 75.0 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.21 -33.35 84.0 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.0 -38.83 71.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.053 -1.263 . . . . 0.0 107.85 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.87 -34.17 74.2 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.694 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.4 tt -54.86 -45.29 74.55 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.4 -40.0 92.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.445 -0.784 . . . . 0.0 109.269 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.559 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 2.8 tm-20 -62.01 -39.05 90.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 109.753 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 30.7 t -64.47 -50.76 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.87 . . . . 0.0 110.357 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.59 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.1 mm? -67.09 -33.86 76.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.125 -0.984 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.3 94.05 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.31 -0.869 . . . . 0.0 109.621 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.559 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 55.7 mtt -69.75 -39.81 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.975 . . . . 0.0 109.875 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.9 -43.5 98.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.674 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.581 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.3 t-20 -176.35 102.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.94 -35.9 71.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.166 -0.959 . . . . 0.0 109.088 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 37.9 p -84.97 5.19 30.2 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 161' ' ' GLY . . . . . 0.581 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.46 97.77 0.06 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -125.6 151.47 46.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.558 -0.966 . . . . 0.0 109.112 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.654 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.53 -34.26 66.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.504 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.23 -32.51 70.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.362 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -75.48 -27.29 58.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.458 -0.776 . . . . 0.0 110.005 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -99.45 131.04 47.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 108.766 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 167' ' ' SER . . . . . 0.53 ' O ' HD12 ' B' ' 171' ' ' LEU . 17.1 p -58.55 72.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.414 -0.804 . . . . 0.0 110.355 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -62.8 -36.55 83.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -0.943 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.58 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.058 -1.026 . . . . 0.0 111.78 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 170' ' ' GLU . . . . . 0.402 ' OE1' ' C ' ' B' ' 170' ' ' GLU . 0.5 OUTLIER -72.84 -37.21 67.5 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.741 -1.224 . . . . 0.0 109.672 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 156' ' ' ILE . 35.3 mt -65.3 -38.43 90.18 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.615 -0.678 . . . . 0.0 109.937 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.3 m-20 -62.51 -43.31 99.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.365 -0.834 . . . . 0.0 110.704 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.76 89.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.091 -1.005 . . . . 0.0 109.929 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.59 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -65.03 -36.98 86.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.104 -0.998 . . . . 0.0 110.15 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 20.5 tp -66.66 -35.08 79.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.976 -1.078 . . . . 0.0 110.674 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.479 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 21.9 m-20 -61.52 -37.02 82.21 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.338 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.69 -43.4 69.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.095 -1.003 . . . . 0.0 108.335 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.637 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.7 mt -66.48 -35.08 79.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.403 -0.811 . . . . 0.0 109.673 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.63 -40.09 71.69 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.064 -1.022 . . . . 0.0 108.41 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.99 -33.75 74.89 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.29 -40.6 94.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.457 -0.777 . . . . 0.0 110.751 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -93.24 -17.47 23.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.3 -1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.25 -179.612 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.42 -36.7 78.77 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.202 -0.936 . . . . 0.0 109.464 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.18 -39.89 94.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.268 -0.895 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.74 -48.19 67.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.968 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.477 HH12 ' C ' ' A' ' 122' ' ' TRP . 48.5 ttt180 -60.99 -40.98 95.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.942 . . . . 0.0 109.252 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 4' ' ' ASN . 78.7 t -60.78 -42.08 90.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ALA . 68.6 t -66.16 -47.83 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.69 84.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.304 -0.873 . . . . 0.0 108.873 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -61.39 -38.79 88.33 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.53 83.44 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.73 -31.86 72.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.0 109.365 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -60.77 -41.44 95.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.647 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -63.95 -38.27 90.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.744 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.99 -39.06 88.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 0.0 109.076 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -60.45 -33.3 72.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -3.66 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.309 -0.87 . . . . 0.0 109.968 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.82 4.75 63.28 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.1 mt -99.1 50.59 0.95 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 0.0 109.363 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.66 -31.78 57.99 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.762 HD11 ' CE ' ' A' ' 79' ' ' MET . 74.9 mt -57.47 -42.82 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -1.22 . . . . 0.0 109.458 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.12 -48.07 82.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 120.93 -1.106 . . . . 0.0 108.775 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.68 81.14 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.73 -47.87 83.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -1.13 . . . . 0.0 109.678 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.5 m-85 -67.37 -36.72 81.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.01 . . . . 0.0 110.11 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.19 -41.28 98.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.093 -1.005 . . . . 0.0 109.779 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mt-30 -62.32 -40.22 95.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.14 -39.65 93.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.401 -0.812 . . . . 0.0 109.177 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 5.2 t80 -65.81 -47.3 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.85 . . . . 0.0 110.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.69 81.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 109.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.8 t -60.37 -50.86 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.06 -1.025 . . . . 0.0 109.625 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.32 -30.37 70.19 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -60.34 -45.03 94.89 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.254 0.549 . . . . 0.0 109.559 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.06 -41.77 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 0.0 109.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -0.793 . . . . 0.0 109.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -67.22 -16.79 64.5 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.01 122.62 30.3 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.474 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -35.59 80.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -86.02 125.78 33.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -137.31 143.91 42.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 95.3 p -114.08 163.19 15.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -53.44 -35.41 60.45 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.959 -1.088 . . . . 0.0 108.692 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.01 -45.18 67.8 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.7 mtp -68.99 -40.72 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.027 -1.046 . . . . 0.0 109.925 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 m -62.72 -43.63 98.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 0.0 109.518 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.32 75.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.805 . . . . 0.0 109.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.36 -40.7 97.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.71 87.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.003 . . . . 0.0 109.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -61.45 -45.81 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -0.824 . . . . 0.0 110.536 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.02 -37.78 74.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.4 mt -64.2 -37.07 86.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.259 -0.9 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -58.64 -38.86 78.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.999 -1.063 . . . . 0.0 109.396 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.23 -43.51 98.65 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.498 HG21 HE22 ' A' ' 28' ' ' GLN . 43.0 m -66.44 -46.46 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.836 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.4 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.79 -49.4 84.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.405 -0.809 . . . . 0.0 109.569 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.68 -40.09 95.95 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.11 -0.994 . . . . 0.0 109.181 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.45 -41.43 80.27 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.679 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.3 t80 -63.73 -48.45 77.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.438 -0.789 . . . . 0.0 109.696 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 58.1 tttt -64.08 -41.0 97.47 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.371 -0.83 . . . . 0.0 109.304 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -63.22 -34.21 77.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 108.623 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -59.67 -31.76 69.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.538 -0.727 . . . . 0.0 109.207 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 76' ' ' LEU . 71.6 mt -122.97 11.55 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.585 -0.697 . . . . 0.0 109.756 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.0 -34.11 22.8 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.29 15.81 52.24 Favored Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.119 -1.224 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.77 -87.77 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.862 -1.376 . . . . 0.0 108.528 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -69.75 -34.41 73.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.89 -30.4 71.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.604 -0.685 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -57.89 -40.55 80.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.212 -0.93 . . . . 0.0 109.262 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -43.26 86.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.95 -39.52 87.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.712 0.768 . . . . 0.0 109.06 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.48 ' O ' ' OG ' ' A' ' 72' ' ' SER . 10.1 p -163.74 99.19 0.89 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -99.59 4.88 46.0 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.266 -0.896 . . . . 0.0 109.569 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -93.89 -76.14 0.49 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.2 p -66.96 -37.22 83.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.34 -0.85 . . . . 0.0 111.166 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 63' ' ' ILE . 31.6 tp -68.29 -35.64 78.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.535 -1.353 . . . . 0.0 109.725 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.578 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.2 t60 -60.14 -45.48 92.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.247 -0.908 . . . . 0.0 109.718 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.51 -42.22 92.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.109 -0.994 . . . . 0.0 108.511 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.762 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.9 ttt -58.75 -36.43 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.39 -32.68 71.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.733 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -56.8 -37.75 71.58 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.3 mt -60.43 -41.31 93.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.508 -0.745 . . . . 0.0 109.595 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.546 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.0 mt -85.44 -45.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.231 -0.918 . . . . 0.0 111.336 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -72.91 -46.51 52.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.287 -0.883 . . . . 0.0 111.209 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.37 100.71 9.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.955 -1.091 . . . . 0.0 109.606 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.51 -36.86 85.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.376 -0.827 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.72 -47.4 83.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 110.291 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.982 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.68 -37.89 89.03 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -45.64 72.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.428 -0.795 . . . . 0.0 109.698 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.3 -44.23 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.595 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.85 -41.95 95.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.15 -40.96 97.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 108.812 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.61 -41.26 96.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 108.919 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.65 ' OD1' HD11 ' B' ' 144' ' ' ILE . 24.1 m-20 -60.65 -42.33 96.75 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.324 -0.86 . . . . 0.0 109.444 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -66.3 -49.05 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.31 -0.869 . . . . 0.0 109.055 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 41.9 m -62.05 -44.66 96.21 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.401 -0.812 . . . . 0.0 109.221 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 90.4 mmm -62.65 -38.54 90.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.163 -0.96 . . . . 0.0 109.392 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 m -62.69 -46.21 89.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.105 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.578 HD21 ' SG ' ' A' ' 124' ' ' CYS . 52.1 tp -67.18 -43.31 82.51 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.629 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.03 -43.06 99.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.546 -0.721 . . . . 0.0 109.199 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -62.67 -39.05 92.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.746 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.14 -42.25 99.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.832 . . . . 0.0 110.034 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.578 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 16.2 mmtt -64.76 -45.43 86.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.043 -1.035 . . . . 0.0 109.437 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.629 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 52.8 mt -67.75 -36.58 80.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.177 -0.952 . . . . 0.0 108.644 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 31.6 tttp -60.85 -46.22 91.44 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.9 mt-30 -63.11 -36.77 84.7 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -58.97 -31.95 69.21 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 68.1 tttt -58.85 -34.84 72.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.611 -0.681 . . . . 0.0 109.942 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -175.36 -26.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.093 -1.004 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -47.45 158.04 0.62 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.48 141.12 85.46 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.972 2.448 . . . . 0.0 112.692 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.3 m-90 -106.01 135.72 46.97 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -152.09 174.31 13.85 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.955 -1.091 . . . . 0.0 110.58 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.63 -39.84 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.673 -0.642 . . . . 0.0 109.369 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 61.5 mtt -57.75 -39.16 76.73 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.846 -1.159 . . . . 0.0 108.702 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 32.9 tp -61.48 -40.16 93.53 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 82.8 tttt -62.24 -48.8 78.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.542 0.687 . . . . 0.0 109.758 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -68.96 -40.95 78.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.436 -0.79 . . . . 0.0 109.572 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.578 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -62.74 -37.77 87.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.806 . . . . 0.0 109.5 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 104' ' ' LYS . 35.9 mt -61.71 -42.42 98.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 109.53 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.861 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.7 m95 -60.84 -37.05 80.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 108.865 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.7 94.86 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.545 -0.722 . . . . 0.0 109.555 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.578 ' SG ' HD21 ' A' ' 100' ' ' LEU . 33.9 m -62.67 -39.55 94.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -58.11 -42.48 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.837 . . . . 0.0 109.974 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.65 -40.15 93.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.234 -0.916 . . . . 0.0 110.476 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.699 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.4 m-85 -65.04 -43.81 91.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.005 -1.059 . . . . 0.0 110.106 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 m -61.71 -36.03 79.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.117 -0.989 . . . . 0.0 109.842 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -65.21 -41.59 94.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 0.0 109.822 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.559 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.6 mt -59.43 -44.93 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.096 -1.003 . . . . 0.0 110.326 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 147' ' ' LEU . 85.1 mt -67.13 -41.63 85.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.001 . . . . 0.0 110.34 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -70.25 -46.17 64.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 111.016 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.87 -34.22 75.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.251 -0.906 . . . . 0.0 111.292 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -139.81 53.31 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 110.71 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -38.14 89.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 109.032 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.21 -25.32 66.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.439 -0.788 . . . . 0.0 110.642 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.445 HD21 ' HG3' ' A' ' 87' ' ' GLU . 51.8 t30 -91.48 1.44 57.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.885 -1.134 . . . . 0.0 110.315 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.5 mt -117.34 129.98 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.077 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.57 159.85 33.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.515 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.15 -44.81 94.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.38 -38.58 91.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.344 -0.848 . . . . 0.0 109.404 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 132' ' ' LEU . 45.7 m -61.63 -40.35 94.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.43 -0.793 . . . . 0.0 109.694 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.93 -40.0 79.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 109.596 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -62.71 -40.87 98.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.348 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.778 HD12 HD21 ' A' ' 132' ' ' LEU . 86.6 mt -65.9 -41.76 91.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.354 -0.841 . . . . 0.0 109.662 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.4 -38.31 86.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.517 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -62.46 -41.27 98.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.907 . . . . 0.0 109.056 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.6 mtt180 -61.67 -42.4 98.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.214 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -66.04 -41.76 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.322 -0.861 . . . . 0.0 108.795 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.583 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.5 mmtt -61.09 -39.07 88.54 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.551 -0.718 . . . . 0.0 109.793 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.714 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 34.3 t80 -57.31 -43.68 83.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.389 -0.819 . . . . 0.0 108.901 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.16 -41.4 94.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.0 108.823 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.48 -43.89 89.12 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.319 -0.863 . . . . 0.0 109.63 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' B' ' 166' ' ' ILE . 82.6 mt -69.49 -50.51 50.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.807 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.93 -35.97 81.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.928 . . . . 0.0 110.484 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.861 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.4 tp -59.85 -37.18 78.54 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.9 m -66.27 -46.16 77.98 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.35 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.4 -38.07 85.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.616 -0.678 . . . . 0.0 109.717 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.542 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.1 mt -63.83 -41.5 97.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.81 61.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 109.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -83.63 -2.54 56.33 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.272 -0.892 . . . . 0.0 109.806 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.46 12.5 84.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -75.01 -29.19 60.79 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.26 -1.141 . . . . 0.0 109.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.0 mm -106.71 133.91 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.183 -0.948 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.978 -1.457 . . . . 0.0 109.55 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 73.2 m-20 -75.48 19.93 0.17 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.12 -42.2 93.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.545 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.1 m-20 -72.03 -41.01 68.01 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -67.0 -42.23 85.36 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.386 0.612 . . . . 0.0 109.817 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.0 110.185 -179.055 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.538 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.8 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.82 -33.23 68.39 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.91 -36.64 75.04 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 48.3 mt -58.04 -31.94 67.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.65 HD11 ' OD1' ' A' ' 95' ' ' ASN . 41.9 mm -67.36 -32.0 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.62 -38.55 69.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.12 -36.24 74.85 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.48 81.06 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.92 -39.2 71.32 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.979 -1.306 . . . . 0.0 107.883 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 76.9 tt0 -61.01 -33.85 73.92 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.685 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.0 tt -55.05 -44.15 74.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.52 -40.05 90.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 109.168 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.568 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.6 tm-20 -62.26 -37.19 84.5 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.489 -0.757 . . . . 0.0 109.701 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 109' ' ' LYS . 25.1 t -64.72 -50.14 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 110.476 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.2 mm? -66.24 -33.4 75.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.155 -0.965 . . . . 0.0 109.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 155' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.0 109.625 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.6 mtp -66.72 -41.01 88.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.983 -1.073 . . . . 0.0 110.001 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.82 -46.3 90.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.8 t-20 -177.55 104.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 159' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 87.9 m-20 -57.83 -35.97 71.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 108.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 39.4 p -86.13 6.59 28.52 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 161' ' ' GLY . . . . . 0.592 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.45 97.8 0.06 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -121.63 153.44 38.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.598 -0.943 . . . . 0.0 108.993 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.708 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.96 -34.39 65.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.441 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.46 -33.28 71.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.226 -0.921 . . . . 0.0 109.671 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.32 -27.31 59.21 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.297 -0.877 . . . . 0.0 110.133 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.4 mt -98.2 134.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.437 -0.789 . . . . 0.0 108.996 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 94.7 p -60.35 68.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.42 -0.8 . . . . 0.0 110.261 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -63.81 -38.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.68 77.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.007 . . . . 0.0 111.176 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.35 -42.51 68.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.915 -1.116 . . . . 0.0 109.829 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.53 -38.33 90.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.691 . . . . 0.0 110.173 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.583 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.6 m-20 -60.73 -42.51 97.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.185 -0.947 . . . . 0.0 110.485 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.85 88.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.7 -38.12 83.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.213 -0.929 . . . . 0.0 110.19 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.507 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.14 -37.34 80.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.142 -0.974 . . . . 0.0 110.485 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.97 -39.7 95.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.007 -1.058 . . . . 0.0 109.129 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.93 -42.94 66.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 108.362 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.463 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.9 tp -65.67 -37.69 87.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.64 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.68 -41.54 70.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.088 -1.007 . . . . 0.0 109.061 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -61.37 -36.86 81.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 108.942 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.432 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -67.13 -45.3 77.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 110.019 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.579 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 50.8 m-20 -72.16 -35.46 69.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.371 -0.831 . . . . 0.0 109.847 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.3 -1.577 0 O-C-N 121.529 -0.732 . . . . 0.0 109.253 -179.653 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.77 -37.7 82.72 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.174 -0.954 . . . . 0.0 109.223 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.59 -41.19 98.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.0 109.251 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.82 72.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.925 . . . . 0.0 109.773 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -60.08 -42.28 94.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 4' ' ' ASN . 70.9 t -61.29 -42.23 92.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.638 -0.664 . . . . 0.0 109.382 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.8 t -65.78 -47.16 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.377 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -40.6 80.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 108.913 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -62.72 -38.44 90.49 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.89 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.336 -0.853 . . . . 0.0 108.907 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.01 -32.9 73.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.398 -0.814 . . . . 0.0 109.641 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -60.77 -42.19 97.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.88 . . . . 0.0 109.914 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.05 -38.52 91.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 110.053 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.22 -38.85 88.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.014 -1.054 . . . . 0.0 109.238 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.8 -34.2 74.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.969 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.35 0.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 110.129 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.83 4.35 63.53 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.8 mt -99.62 33.49 2.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.085 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.83 8.21 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.798 HD11 ' CE ' ' A' ' 79' ' ' MET . 75.0 mt -57.37 -42.95 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.033 -1.275 . . . . 0.0 109.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.49 -48.59 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.133 -0.979 . . . . 0.0 108.401 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.29 -32.57 81.28 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.684 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.3 t80 -58.54 -47.18 85.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -1.105 . . . . 0.0 109.7 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.532 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 34.6 m-85 -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 110.126 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.72 -41.1 98.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.106 -0.996 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.26 -40.19 93.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.997 . . . . 0.0 108.859 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.24 -39.89 89.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.403 -0.811 . . . . 0.0 109.244 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.6 t80 -64.36 -43.75 93.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.468 -0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.69 81.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.771 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.61 -50.78 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 109.613 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.58 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.9 mt-10 -67.03 -30.07 70.05 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -59.84 -43.63 94.51 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.02 -44.15 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.188 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.03 -35.74 81.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.573 -0.704 . . . . 0.0 109.731 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -67.79 -14.52 63.02 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.98 124.2 33.48 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.368 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.23 -35.66 80.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.235 -0.915 . . . . 0.0 109.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.58 125.71 33.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.976 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.483 ' NH1' ' OG1' ' A' ' 46' ' ' THR . 34.6 mtm105 -139.59 141.32 37.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.81 . . . . 0.0 109.594 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 88.8 p -114.26 162.58 16.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -53.61 -35.36 60.83 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.933 -1.104 . . . . 0.0 108.733 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.06 -43.36 71.36 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.345 -0.847 . . . . 0.0 110.024 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.5 mtp -70.01 -40.78 75.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.902 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' NH1' ' A' ' 41' ' ' ARG . 49.9 m -61.99 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.366 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.63 74.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.75 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.17 -39.34 92.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.73 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.15 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.14 -0.975 . . . . 0.0 109.437 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -62.15 -45.83 91.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.26 -38.16 76.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.66 -37.23 86.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 109.929 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 79.7 mt -58.48 -39.4 79.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.06 -1.025 . . . . 0.0 109.466 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.01 -42.35 99.06 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.231 -0.918 . . . . 0.0 109.639 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 m -64.6 -45.47 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 0.0 110.136 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.28 -50.21 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.083 -1.011 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.66 -38.63 91.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.76 88.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.027 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -69.04 -48.86 61.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 64' ' ' GLY . 55.0 tttt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.413 -0.804 . . . . 0.0 109.422 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -63.02 -33.87 76.34 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.18 -31.47 69.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.561 -0.712 . . . . 0.0 109.155 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 63' ' ' ILE . 71.5 mt -123.43 10.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.542 -0.724 . . . . 0.0 109.776 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.38 -37.9 56.42 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.99 65.27 Favored Glycine 0 N--CA 1.489 2.227 0 O-C-N 121.208 -1.172 . . . . 0.0 110.208 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.47 -37.03 82.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.965 -1.314 . . . . 0.0 109.051 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.85 -29.92 1.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -31.44 72.6 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.48 77.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.798 . . . . 0.0 109.262 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.77 -42.84 89.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 108.631 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -64.52 -38.8 92.27 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.4 t -160.94 98.1 1.18 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -95.77 7.27 46.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.228 -0.92 . . . . 0.0 109.596 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -95.89 -75.66 0.52 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.17 -0.957 . . . . 0.0 109.93 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -67.39 -40.4 85.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.412 -0.805 . . . . 0.0 111.382 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 tp -70.26 -36.63 74.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.609 -1.307 . . . . 0.0 109.857 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.7 t60 -60.34 -45.13 94.54 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.57 -41.57 92.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.161 -0.962 . . . . 0.0 108.51 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.798 ' CE ' HD11 ' A' ' 22' ' ' ILE . 12.5 ttt -58.21 -35.93 72.38 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.685 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.08 -32.39 70.91 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.685 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 27.7 m -56.93 -37.71 71.89 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -60.21 -40.2 89.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.498 -0.751 . . . . 0.0 109.521 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.1 mt -85.96 -45.61 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.181 -0.95 . . . . 0.0 111.101 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -72.01 -46.55 56.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 111.066 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -80.54 100.79 8.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.831 -1.168 . . . . 0.0 109.421 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.48 -37.46 87.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 0.0 110.387 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.55 -47.49 81.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 110.347 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.644 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 74.9 tttt -66.03 -41.77 90.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.11 -0.994 . . . . 0.0 109.434 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.61 -37.56 87.79 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.322 -0.861 . . . . 0.0 108.768 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.3 66.95 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.465 -0.772 . . . . 0.0 109.63 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.75 -46.21 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.95 . . . . 0.0 109.712 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.12 -43.94 93.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.06 -1.025 . . . . 0.0 109.309 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tpt -62.73 -43.88 97.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -65.41 -42.94 92.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 140' ' ' MET . 26.3 m-20 -62.85 -40.61 98.0 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.409 -0.807 . . . . 0.0 109.097 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.09 -49.97 65.7 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.441 -0.787 . . . . 0.0 109.066 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.514 ' OG1' HD11 ' A' ' 131' ' ' ILE . 69.8 m -62.91 -44.27 96.54 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.389 -0.82 . . . . 0.0 109.083 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.3 mmm -62.1 -38.13 87.73 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 109.3 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -62.21 -46.57 88.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 109.104 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 55.1 tp -65.32 -43.44 91.0 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.784 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.7 t80 -60.99 -42.24 98.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.421 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.5 t-20 -61.78 -38.66 88.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.66 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.69 -42.86 99.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.0 109.876 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.728 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 32.0 mmtp -64.32 -45.11 89.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.784 HD11 ' CE2' ' A' ' 101' ' ' TYR . 69.4 mt -65.5 -36.7 84.62 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 26.2 tttp -61.37 -46.37 90.47 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.453 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.6 mt-30 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.779 HD11 ' CE1' ' A' ' 157' ' ' TYR . 6.5 tp -57.84 -32.71 67.89 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.643 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 50.5 tttt -58.75 -40.66 84.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.765 -0.585 . . . . 0.0 110.113 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -169.34 -22.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.252 -0.905 . . . . 0.0 110.552 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.2 156.71 1.48 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.92 139.4 67.79 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.837 2.358 . . . . 0.0 112.704 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 167' ' ' GLY . 2.5 m-90 -106.17 135.58 47.39 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -153.87 173.23 16.19 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.912 -1.118 . . . . 0.0 110.636 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.42 -39.32 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.25 -42.53 77.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.631 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' HD2' ' A' ' 104' ' ' LYS . 41.9 tp -62.28 -36.95 83.68 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 108.975 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.3 tttt -56.84 -47.57 80.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.494 -0.754 . . . . 0.0 110.055 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.857 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.728 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 5.2 t -63.23 -38.44 91.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.249 -0.907 . . . . 0.0 110.314 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 121' ' ' LEU . 91.1 mt -61.08 -39.33 89.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.911 -1.118 . . . . 0.0 109.069 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.896 ' NE1' HD21 ' A' ' 158' ' ' LEU . 54.0 m95 -61.64 -37.24 83.27 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.043 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -43.76 94.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.432 -0.793 . . . . 0.0 109.678 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.556 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 37.3 m -60.55 -39.51 88.2 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.714 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.01 -42.76 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.056 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.82 -41.13 99.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.271 -0.893 . . . . 0.0 110.325 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.48 -40.29 94.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.46 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 151' ' ' ILE . 28.2 m-85 -64.41 -43.81 93.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.071 -1.018 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -61.08 -36.2 79.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.62 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -67.27 -44.52 79.11 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 109.687 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.602 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.1 mt -59.45 -41.93 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -0.973 . . . . 0.0 110.106 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 147' ' ' LEU . 92.6 mt -68.3 -44.94 74.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.088 -1.008 . . . . 0.0 110.257 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.58 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.2 t60 -70.31 -43.16 70.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.398 -0.814 . . . . 0.0 111.371 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 134' ' ' LEU . 84.8 mt -59.51 -33.63 71.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.121 -0.987 . . . . 0.0 111.722 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -142.53 63.31 1.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.695 -1.253 . . . . 0.0 111.002 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -63.28 -37.7 88.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.022 . . . . 0.0 109.488 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.18 -19.56 59.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 111.379 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.26 0.24 57.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.67 -1.269 . . . . 0.0 110.001 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.7 mt -116.67 129.93 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.102 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.48 159.68 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 0.0 109.586 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.35 -40.38 95.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.27 -0.894 . . . . 0.0 109.597 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.87 -44.84 91.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.89 -37.93 88.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.381 -0.825 . . . . 0.0 109.304 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.6 m -61.26 -40.08 92.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 109.648 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.79 -42.89 85.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -62.55 -39.86 94.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.33 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 132' ' ' LEU . 87.9 mt -63.79 -41.22 97.98 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.43 -0.794 . . . . 0.0 109.775 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.89 -38.76 86.8 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.681 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.7 tttp -62.39 -40.69 97.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.018 . . . . 0.0 108.595 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.24 -43.49 98.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 108.818 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -65.81 -46.0 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 16.4 mmtt -61.1 -36.92 80.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 154' ' ' LEU . 2.7 t80 -55.86 -44.28 77.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.23 -43.94 80.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.261 -0.899 . . . . 0.0 108.713 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -59.35 -44.1 92.73 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.531 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.884 HG21 HD12 ' B' ' 166' ' ' ILE . 90.7 mt -70.15 -49.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 120.967 -1.083 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.779 ' CE1' HD11 ' A' ' 108' ' ' LEU . 2.3 m-85 -66.21 -35.8 81.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.113 -0.992 . . . . 0.0 110.932 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 1.015 HD23 HD11 ' B' ' 175' ' ' LEU . 27.0 tp -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.607 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.61 -39.93 73.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.281 -0.887 . . . . 0.0 109.507 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -60.48 -39.21 86.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 109.338 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.46 -36.47 76.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 108.494 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.47 -28.7 69.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.505 -0.747 . . . . 0.0 109.399 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -80.77 -16.03 54.87 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.16 -0.962 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.5 11.81 79.41 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.59 -29.81 61.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.538 -0.977 . . . . 0.0 109.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.32 131.81 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.164 -0.96 . . . . 0.0 108.758 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.46 ' C ' ' CE3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.069 0 CA-C-O 118.068 -1.406 . . . . 0.0 109.709 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' B' ' 130' ' ' ILE . 85.8 mt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.485 ' N ' HG22 ' B' ' 128' ' ' ILE . 62.9 m-20 -75.11 19.82 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 18.9 tt -64.14 -41.73 93.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.543 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.2 m-20 -75.13 -40.81 59.5 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.733 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -66.15 -40.36 90.52 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.409 0.623 . . . . 0.0 110.027 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.263 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.526 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 67.2 mtm . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.636 0.731 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.44 -33.87 75.67 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.99 -38.29 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 108.877 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.513 ' N ' HD12 ' B' ' 143' ' ' LEU . 9.8 mp -57.44 -34.14 68.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.98 -30.39 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.84 -38.55 72.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' GLN . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 95.1 mt-30 -59.4 -35.85 74.74 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -32.69 82.07 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.66 -38.6 69.81 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.966 -1.314 . . . . 0.0 107.522 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 74.3 tt0 -60.55 -33.12 72.21 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.693 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.8 tt -54.24 -43.8 71.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.81 -40.15 91.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' B' ' 152' ' ' GLU . 12.2 tm-20 -62.3 -40.0 94.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 0.0 109.601 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -65.85 -51.28 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.0 110.004 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.49 HD11 ' OH ' ' A' ' 153' ' ' TYR . 3.2 mm? -67.46 -32.54 73.46 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 108.99 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.18 86.78 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 0.0 108.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.643 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.8 mtp -63.32 -32.06 73.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.051 -1.031 . . . . 0.0 108.524 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.3 t-20 -77.53 3.61 13.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.513 -0.742 . . . . 0.0 109.299 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.7 t-20 85.59 101.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.73 -33.51 70.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.421 -0.799 . . . . 0.0 109.175 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 160' ' ' SER . . . . . 0.492 ' OG ' ' OD1' ' B' ' 158' ' ' ASN . 83.2 p -58.53 -19.05 34.34 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -57.01 102.22 0.2 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.9 tp10 -100.84 153.33 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -1.152 . . . . 0.0 109.871 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.681 HD11 ' HG3' ' A' ' 149' ' ' LYS . 29.6 mt -52.87 -31.78 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.418 -0.801 . . . . 0.0 109.314 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 164' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 92.4 m-20 -59.95 -23.59 63.69 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.318 -0.864 . . . . 0.0 109.941 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.66 -22.49 58.86 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.928 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.884 HD12 HG21 ' A' ' 156' ' ' ILE . 5.6 pt -107.97 138.64 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.218 -0.926 . . . . 0.0 109.346 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 167' ' ' SER . . . . . 0.557 ' O ' HD12 ' B' ' 171' ' ' LEU . 69.7 m -57.79 76.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.5 t0 -61.39 -36.38 80.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.915 . . . . 0.0 110.304 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.36 80.77 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.094 -1.004 . . . . 0.0 111.33 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -70.69 -44.37 67.11 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.847 -1.158 . . . . 0.0 109.546 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.634 HD13 HG23 ' A' ' 156' ' ' ILE . 13.2 mt -61.23 -38.64 87.38 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.731 -0.606 . . . . 0.0 109.855 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.6 m-20 -66.47 -43.74 84.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.05 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.396 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.1 -30.41 70.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.037 -1.04 . . . . 0.0 109.855 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 1.015 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -66.25 -43.79 85.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -63.02 -41.3 99.52 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.012 -1.055 . . . . 0.0 109.538 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.46 61.05 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.094 -1.003 . . . . 0.0 108.924 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 162' ' ' ALA . 34.7 tp -63.75 -37.9 89.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -60.25 -40.59 90.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 109.595 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -60.42 -35.94 76.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 4.1 tm-20 -67.67 -44.55 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.875 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.412 ' CG ' ' OE1' ' B' ' 181' ' ' GLU . 28.4 m-20 -76.25 -35.39 58.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 110.195 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.266 -179.5 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.283 0.563 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.5 t30 -60.21 -38.07 82.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.13 -39.43 92.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.16 95.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.905 . . . . 0.0 109.819 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 48.7 ttt-85 -59.79 -41.2 90.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.939 . . . . 0.0 109.118 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.7 t -60.61 -39.91 82.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.29 -46.96 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.256 -0.902 . . . . 0.0 109.011 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.54 80.14 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.525 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 91.5 m -61.57 -38.62 88.19 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.26 80.43 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.6 -31.89 71.98 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.8 -41.08 94.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.377 -0.827 . . . . 0.0 109.558 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -63.91 -38.88 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.375 -0.828 . . . . 0.0 109.751 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.2 -39.66 91.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.054 -1.029 . . . . 0.0 108.955 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.76 -32.39 71.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.446 -0.784 . . . . 0.0 109.457 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.95 -5.1 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.904 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.96 4.89 62.96 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 20' ' ' LEU . 63.2 mt -95.65 60.99 2.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.978 -1.307 . . . . 0.0 109.28 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.54 85.3 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.62 HD11 ' HE2' ' A' ' 79' ' ' MET . 79.8 mt -57.64 -43.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.321 . . . . 0.0 109.7 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.83 -49.68 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.64 81.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 88.5 t80 -58.71 -48.9 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.381 -1.07 . . . . 0.0 109.891 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 37.7 m-85 -67.31 -35.13 78.81 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.116 -0.99 . . . . 0.0 109.821 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.2 mt -64.33 -40.85 96.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.467 HE22 HG21 ' A' ' 55' ' ' THR . 96.3 mt-30 -60.45 -39.52 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.901 -1.124 . . . . 0.0 108.506 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.07 -38.79 91.94 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 34' ' ' LEU . 65.2 t80 -64.52 -44.35 91.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.554 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.04 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 110.382 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.08 -47.9 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 0.0 110.286 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.5 mt-10 -64.29 -33.03 74.89 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.345 -0.847 . . . . 0.0 109.745 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.767 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.89 -46.94 87.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 109.876 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.16 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.41 -0.806 . . . . 0.0 109.667 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.98 -34.43 77.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.353 -0.842 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.9 p -67.73 -16.5 64.17 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -78.68 125.8 29.86 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.668 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.93 -34.76 78.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.319 -0.863 . . . . 0.0 109.551 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -96.74 125.95 41.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.93 143.37 49.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.361 -0.837 . . . . 0.0 109.571 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 50.2 m -114.11 160.23 19.17 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.9 -34.92 57.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.924 -1.11 . . . . 0.0 108.475 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.89 -42.59 73.21 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.27 -0.894 . . . . 0.0 109.868 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -72.25 -42.78 65.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.82 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 m -63.5 -42.9 98.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.24 80.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.25 -41.21 98.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 109.624 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.47 87.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.162 -0.961 . . . . 0.0 109.333 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -61.79 -45.67 92.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.409 -0.807 . . . . 0.0 110.316 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.9 -38.76 73.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.2 mt -64.0 -37.43 87.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.094 -1.004 . . . . 0.0 109.733 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.6 -39.96 81.89 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.062 . . . . 0.0 109.261 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.85 -43.0 99.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.269 -0.895 . . . . 0.0 109.188 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.467 HG21 HE22 ' A' ' 28' ' ' GLN . 56.0 m -66.72 -46.4 75.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.244 -0.91 . . . . 0.0 109.696 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.8 mt -61.76 -49.44 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.1 -39.98 95.23 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.72 78.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.217 -0.927 . . . . 0.0 108.91 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.1 t80 -61.61 -47.24 86.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.464 -0.773 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' GLY . 33.3 tttt -62.81 -37.9 88.58 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.429 -0.794 . . . . 0.0 109.393 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.35 -34.99 78.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 0.0 109.238 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.27 -31.13 69.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.62 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 63' ' ' ILE . 5.3 mt -122.82 9.48 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.457 -0.777 . . . . 0.0 109.957 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.29 -38.16 61.31 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.8 1.75 65.41 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.876 -1.367 . . . . 0.0 109.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.68 -28.63 1.4 Allowed 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.64 -30.97 71.76 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.97 83.0 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.422 -0.799 . . . . 0.0 109.277 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.64 -44.49 77.22 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.32 -39.23 92.16 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -159.97 97.05 1.26 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.59 7.55 46.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.639 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.7 -76.59 0.49 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 109.954 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.9 p -67.89 -39.43 83.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.381 -0.824 . . . . 0.0 111.43 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.08 -36.99 72.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.581 -1.324 . . . . 0.0 109.967 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 85.0 t60 -60.43 -45.16 94.63 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.2 -0.938 . . . . 0.0 109.639 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.89 -41.29 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HE2' HD11 ' A' ' 22' ' ' ILE . 9.5 ttt -58.34 -35.86 72.55 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.07 -32.81 71.29 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.479 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.597 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.1 m -56.89 -37.02 70.79 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 67.6 mt -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 109.109 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -85.12 -45.85 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.178 -0.951 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.43 ' ND1' ' ND2' ' A' ' 80' ' ' ASN . 77.9 m80 -72.48 -47.34 49.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 111.055 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -83.6 99.87 10.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.905 -1.122 . . . . 0.0 109.899 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 84' ' ' HIS . 4.0 mp0 -64.91 -35.73 82.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.426 -0.797 . . . . 0.0 110.426 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.89 -48.42 81.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.124 -0.985 . . . . 0.0 110.395 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' HD13 ' B' ' 130' ' ' ILE . 44.6 tttp -67.14 -40.49 86.75 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.768 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.22 -37.61 86.0 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -46.77 67.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.547 -0.72 . . . . 0.0 109.487 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.3 -47.3 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.64 -43.83 97.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.35 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.83 -43.75 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -65.16 -41.63 94.49 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.484 -0.76 . . . . 0.0 109.39 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.17 -49.32 67.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.294 -0.879 . . . . 0.0 108.958 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.1 m -61.72 -44.64 96.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.416 -0.803 . . . . 0.0 109.113 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.4 -39.72 94.16 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.25 -0.906 . . . . 0.0 109.234 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.6 m -63.88 -46.33 85.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.364 -0.835 . . . . 0.0 109.039 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD21 ' SG ' ' A' ' 124' ' ' CYS . 54.4 tp -66.19 -45.19 81.67 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 105' ' ' LEU . 44.8 t80 -61.65 -43.42 98.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.569 -0.707 . . . . 0.0 109.415 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.3 t-20 -62.29 -37.9 87.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.335 -0.853 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -62.77 -42.62 99.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 121' ' ' LEU . 51.8 mmtt -64.19 -44.93 90.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.031 -1.043 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 101' ' ' TYR . 44.0 mt -66.01 -36.79 84.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 0.0 108.432 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.573 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.0 tttp -61.03 -46.15 91.9 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.77 -36.77 84.17 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.99 -32.92 68.35 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.8 tttt -59.08 -41.42 87.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.766 -0.584 . . . . 0.0 109.93 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.2 m-20 -166.97 -4.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -67.21 157.14 51.77 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.68 138.23 63.15 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.765 2.31 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.433 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.0 135.29 47.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.065 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -154.88 172.21 18.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.06 -1.025 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.66 -38.82 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.721 -0.612 . . . . 0.0 109.457 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.413 ' HG3' HH21 ' A' ' 119' ' ' ARG . 51.3 ttm -56.64 -42.75 79.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.071 -1.018 . . . . 0.0 108.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.51 -35.92 80.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.253 -0.904 . . . . 0.0 108.917 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.474 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.2 tttt -57.23 -47.01 82.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 110.091 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.413 HH21 ' HG3' ' A' ' 116' ' ' MET . 74.0 mtm180 -66.09 -40.57 90.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.395 -0.816 . . . . 0.0 109.894 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 9.0 m -61.94 -38.95 90.38 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.435 -0.791 . . . . 0.0 109.945 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 104' ' ' LYS . 88.2 mt -61.6 -42.65 99.18 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.119 -0.988 . . . . 0.0 109.21 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.867 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.1 m95 -62.65 -37.91 88.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 108.651 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.467 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.11 -40.1 94.06 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.66 -0.65 . . . . 0.0 109.46 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.568 ' SG ' HD21 ' A' ' 100' ' ' LEU . 63.2 m -63.86 -40.12 95.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.545 HG23 HG23 ' A' ' 151' ' ' ILE . 94.1 mt -58.57 -42.15 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.895 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.78 -40.01 86.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 0.0 109.935 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.51 -40.08 95.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.427 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.697 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.9 m-85 -64.79 -43.82 91.98 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.093 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -61.15 -36.61 80.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.73 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.645 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 84.2 m -65.08 -43.01 93.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.209 -0.932 . . . . 0.0 109.896 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.2 mt -59.2 -43.92 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 110.087 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 147' ' ' LEU . 81.1 mt -68.69 -44.49 73.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.958 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.592 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.1 t60 -69.46 -45.67 68.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.505 -0.747 . . . . 0.0 110.983 -179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 89.8 mt -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.472 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -136.69 60.06 1.67 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.849 -1.157 . . . . 0.0 110.757 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -62.8 -36.48 83.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.0 109.674 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.67 -23.72 59.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.364 -0.835 . . . . 0.0 111.473 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.2 t-20 -92.35 0.09 57.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.666 -1.271 . . . . 0.0 110.145 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.404 HD13 HD23 ' A' ' 132' ' ' LEU . 72.5 mt -118.03 125.96 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.506 -0.746 . . . . 0.0 109.187 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -71.14 159.59 34.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.61 -40.11 92.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.0 m -65.05 -46.3 81.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.913 . . . . 0.0 109.442 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.7 p -66.57 -31.97 73.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 0.0 108.911 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.518 HG23 HD22 ' A' ' 132' ' ' LEU . 47.1 m -62.35 -41.02 98.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.468 -0.77 . . . . 0.0 109.039 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -59.01 -37.97 78.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.482 -0.761 . . . . 0.0 109.318 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 t -61.46 -42.83 99.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 0.0 109.233 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 132' ' ' LEU . 91.2 mt -65.88 -41.49 91.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.367 -0.833 . . . . 0.0 109.527 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.42 -36.87 81.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -39.99 94.59 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.274 -0.891 . . . . 0.0 109.006 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -61.22 -42.39 98.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.0 109.189 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.2 mt -65.96 -40.66 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.333 -0.854 . . . . 0.0 108.826 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.6 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.2 mmtt -61.09 -40.11 92.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.59 -0.694 . . . . 0.0 109.895 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 40.9 t80 -57.45 -43.66 84.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.96 -41.23 95.65 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -58.71 -43.87 90.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.425 -0.797 . . . . 0.0 109.649 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.47 -50.6 49.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -66.99 -35.72 80.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 110.35 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.867 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 m -65.4 -45.37 84.26 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.492 -0.755 . . . . 0.0 109.207 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.66 -38.95 89.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.556 -0.715 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -63.82 -41.56 97.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.495 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.604 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.34 -24.64 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.794 . . . . 0.0 109.69 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.556 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.3 mtpt -84.05 -3.97 58.43 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.332 -0.855 . . . . 0.0 109.824 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.72 12.2 84.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -74.99 -28.63 60.62 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.279 -1.13 . . . . 0.0 109.896 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -106.52 132.92 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.0 109.234 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 CA-C-O 118.018 -1.434 . . . . 0.0 109.586 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.532 ' C ' ' H ' ' B' ' 130' ' ' ILE . 70.8 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -76.28 20.13 0.22 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.45 -42.83 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.598 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.7 m-20 -75.13 -41.07 59.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.504 -0.878 . . . . 0.0 108.844 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -65.73 -41.09 92.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.533 0.683 . . . . 0.0 109.652 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.462 -0.774 . . . . 0.0 109.646 -179.528 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.598 0.713 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.6 mm? -63.77 -36.48 84.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.158 -0.964 . . . . 0.0 108.773 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.183 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.8 -36.22 71.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.014 -1.054 . . . . 0.0 108.662 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.3 mt -68.49 -31.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.948 -1.095 . . . . 0.0 108.294 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.69 -37.88 77.03 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' GLN . . . . . 0.522 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 92.7 mt-30 -59.43 -35.5 74.15 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.32 -34.36 87.91 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.245 -1.942 . . . . 0.0 108.245 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -56.12 -38.86 71.35 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.965 -1.315 . . . . 0.0 107.814 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.573 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.54 -33.7 73.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.686 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.1 tt -54.99 -44.98 74.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.8 -40.54 95.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.173 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -62.5 -39.23 92.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.58 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.436 HG22 ' HD2' ' A' ' 109' ' ' LYS . 34.3 t -64.44 -50.63 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.889 . . . . 0.0 110.287 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.83 -33.36 75.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.137 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.01 95.9 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.397 -0.814 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.0 mtp -64.62 -38.84 92.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.075 -1.016 . . . . 0.0 109.45 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.4 t-20 -60.87 -37.95 83.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.366 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.81 109.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.504 -0.748 . . . . 0.0 109.028 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.89 -35.12 70.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 46.9 p -82.61 1.97 35.58 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.62 97.94 0.06 OUTLIER Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -121.69 154.78 36.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.559 -0.965 . . . . 0.0 109.08 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.716 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -54.48 -33.4 59.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.181 -0.95 . . . . 0.0 109.339 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.33 -33.02 70.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.325 -0.859 . . . . 0.0 109.575 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.4 -23.61 57.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.657 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 41.2 mt -101.77 134.79 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.202 -0.936 . . . . 0.0 108.92 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 20.5 t -60.09 69.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -64.56 -38.08 89.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 110.62 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.81 77.21 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.11 -0.994 . . . . 0.0 111.253 -178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -43.0 67.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.899 -1.126 . . . . 0.0 109.808 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.19 -38.28 90.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.527 -0.733 . . . . 0.0 110.184 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.6 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.8 m-20 -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.13 -0.981 . . . . 0.0 110.477 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.36 85.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.105 -0.997 . . . . 0.0 109.862 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.556 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -66.07 -37.35 85.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 110.119 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 158' ' ' LEU . 18.8 tp -66.62 -36.18 81.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.999 -1.063 . . . . 0.0 110.524 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.034 -1.041 . . . . 0.0 108.436 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.79 -41.55 71.5 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.604 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.8 mt -67.1 -37.81 84.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.166 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.26 -42.44 77.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.106 -0.996 . . . . 0.0 109.136 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.02 -38.68 86.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.348 -0.845 . . . . 0.0 109.043 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.04 -43.14 79.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.408 -0.808 . . . . 0.0 109.333 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 35.5 m-20 -73.2 -33.42 65.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.475 -0.765 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.52 -0.738 . . . . 0.0 109.223 -179.422 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.44 -36.69 78.82 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.215 -0.928 . . . . 0.0 109.376 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.946 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.14 -39.5 92.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.391 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.29 91.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.699 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttt85 -60.13 -42.68 95.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -42.14 92.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.22 -46.3 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 0.0 109.2 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.51 82.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 108.971 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -61.77 -38.56 88.49 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.99 82.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.1 -31.49 71.17 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.466 -0.771 . . . . 0.0 109.095 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.47 -40.24 90.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.407 -0.808 . . . . 0.0 109.116 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -63.72 -36.74 84.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.398 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.71 -41.78 95.9 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.111 -0.993 . . . . 0.0 108.801 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -60.1 -30.4 69.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.43 -10.64 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.469 -0.769 . . . . 0.0 109.666 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.14 4.75 62.75 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 79.6 mt -96.94 60.33 1.73 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.236 . . . . 0.0 109.181 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.19 78.44 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.7 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.7 mt -57.73 -43.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.299 . . . . 0.0 109.625 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.56 -49.72 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.952 -1.093 . . . . 0.0 108.68 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.87 -32.46 79.69 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.2 t80 -58.86 -48.46 81.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.404 -1.056 . . . . 0.0 109.832 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.7 m-85 -67.51 -36.25 80.69 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.107 -0.995 . . . . 0.0 110.207 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.421 HE22 HG21 ' A' ' 55' ' ' THR . 94.9 mt-30 -62.51 -40.21 96.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.07 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.1 -39.91 90.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.462 -0.774 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 4.9 t80 -64.04 -45.7 87.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.816 . . . . 0.0 110.081 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.301 -0.874 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.04 -51.03 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.98 -1.075 . . . . 0.0 109.883 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -67.06 -30.31 70.33 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 tp -60.24 -43.45 96.06 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.69 -46.36 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.355 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.83 -36.13 82.9 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.544 -0.723 . . . . 0.0 109.704 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.5 p -67.85 -14.61 63.1 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -89.43 124.93 34.92 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.357 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.37 -35.17 78.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -83.02 125.64 31.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.991 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -145.69 142.47 29.03 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.842 . . . . 0.0 109.587 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.43 ' H ' ' HB3' ' A' ' 45' ' ' MET . 28.3 t -114.17 158.41 21.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.83 -35.24 56.86 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.195 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.5 -42.24 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.399 -0.813 . . . . 0.0 109.54 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.43 ' HB3' ' H ' ' A' ' 42' ' ' SER . 8.5 tpt -69.69 -42.61 73.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.104 -0.997 . . . . 0.0 109.555 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.8 m -61.32 -41.7 97.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.469 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.95 77.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.756 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.25 -39.45 92.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.0 109.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.65 92.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.56 -45.97 91.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.409 -0.807 . . . . 0.0 110.411 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.39 -37.68 75.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.483 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.47 -37.07 85.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.831 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 66.1 mt -58.48 -38.94 78.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -60.91 -41.07 95.42 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.248 -0.908 . . . . 0.0 109.038 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.421 HG21 HE22 ' A' ' 28' ' ' GLN . 39.4 m -66.88 -44.64 80.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.75 -51.2 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.95 -38.18 87.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.78 85.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.917 . . . . 0.0 109.078 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -68.04 -48.95 64.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.6 tttt -64.32 -39.8 94.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.127 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -62.87 -33.79 76.01 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.88 -31.17 68.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 63' ' ' ILE . 76.1 mt -124.77 9.98 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.531 -0.73 . . . . 0.0 109.917 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.97 -37.23 44.39 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.25 0.91 65.06 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.07 -37.93 75.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.418 . . . . 0.0 108.691 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.92 -29.77 0.83 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.86 -31.27 72.4 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -60.05 -36.07 76.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.333 -0.855 . . . . 0.0 109.221 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -39.15 90.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.291 -0.881 . . . . 0.0 109.344 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -58.58 -40.86 84.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.471 -0.768 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -126.49 -62.93 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.528 -0.732 . . . . 0.0 109.073 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 68.03 -20.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.522 -0.736 . . . . 0.0 109.912 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 72' ' ' SER . 24.3 mttm -91.05 -80.85 0.33 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.054 -1.029 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.9 p -68.1 -34.47 76.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.848 . . . . 0.0 110.548 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 63' ' ' ILE . 29.5 tp -67.76 -37.29 81.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.748 -1.22 . . . . 0.0 109.667 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.435 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.0 t60 -60.43 -45.44 93.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.221 -0.925 . . . . 0.0 109.534 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.642 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.19 -41.22 88.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.226 -0.921 . . . . 0.0 108.723 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.7 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.2 ttt -58.54 -36.3 73.66 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.19 -32.83 71.45 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.534 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 30.8 m -57.02 -38.41 73.08 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.3 mt -60.51 -41.05 93.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.551 -0.718 . . . . 0.0 109.814 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.418 HG23 ' CE2' ' A' ' 25' ' ' TYR . 93.7 mt -84.63 -45.06 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.203 -0.936 . . . . 0.0 111.464 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.429 ' ND1' ' ND2' ' A' ' 80' ' ' ASN . 76.0 m80 -74.22 -46.53 41.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 111.164 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.55 100.13 8.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.142 . . . . 0.0 109.573 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.38 -36.71 85.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.74 -47.63 82.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.228 -0.92 . . . . 0.0 110.314 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' B' ' 130' ' ' ILE . 48.6 tttp -65.97 -41.63 90.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.139 -0.975 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.13 -38.01 89.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.372 -0.83 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -44.45 70.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 109.579 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.64 -41.23 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.247 -0.908 . . . . 0.0 109.778 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -65.42 -45.06 85.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.975 -1.078 . . . . 0.0 109.526 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.252 -0.905 . . . . 0.0 108.795 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -42.63 94.39 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' B' ' 140' ' ' MET . 47.0 m-20 -63.14 -41.44 99.29 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.285 -0.884 . . . . 0.0 109.139 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -65.66 -49.52 68.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.315 -0.866 . . . . 0.0 108.896 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.493 ' OG1' HD11 ' A' ' 131' ' ' ILE . 62.7 m -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.5 mmm -63.63 -39.39 94.22 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.296 -0.878 . . . . 0.0 109.242 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 27.7 m -63.52 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.396 -0.815 . . . . 0.0 109.166 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 60.0 tp -65.59 -44.99 84.91 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.742 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 46.0 t80 -60.63 -41.45 94.92 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.62 -0.675 . . . . 0.0 109.514 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.14 -39.0 88.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 110.16 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.2 -40.08 95.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 110.044 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 28.3 mmtt -64.74 -45.49 86.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 109.44 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 33.3 mt -67.64 -36.74 81.34 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.0 tttp -61.06 -46.31 91.19 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.8 mt-30 -63.61 -36.82 85.07 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.3 tp -58.15 -32.57 68.31 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.665 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 73.0 tttt -59.16 -41.63 88.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.778 -0.576 . . . . 0.0 109.87 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.6 m-20 -167.05 -5.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.235 -0.916 . . . . 0.0 111.094 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.62 157.28 50.52 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.27 137.91 63.5 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.78 2.32 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.442 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.07 135.66 47.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.428 -0.795 . . . . 0.0 109.019 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -155.27 173.11 17.09 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.056 -1.027 . . . . 0.0 110.385 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.62 -38.72 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.716 -0.615 . . . . 0.0 109.354 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.16 -42.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.892 -1.13 . . . . 0.0 108.773 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 117' ' ' LEU . 36.0 tp -62.45 -36.15 81.51 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.298 -0.876 . . . . 0.0 108.98 178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 81.6 tttt -57.15 -47.61 80.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.0 109.858 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.21 -39.08 86.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.462 -0.773 . . . . 0.0 109.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.582 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.9 t -61.99 -39.77 93.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 0.0 109.944 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 104' ' ' LYS . 89.2 mt -61.75 -40.1 93.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -0.975 . . . . 0.0 109.278 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.911 ' NE1' HD21 ' A' ' 158' ' ' LEU . 52.7 m95 -61.95 -37.45 84.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.41 -0.807 . . . . 0.0 109.396 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.92 94.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.387 -0.821 . . . . 0.0 109.7 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.6 m -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.273 -0.892 . . . . 0.0 109.695 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 HG23 ' A' ' 151' ' ' ILE . 95.2 mt -58.5 -42.02 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.865 . . . . 0.0 110.019 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.0 -41.19 97.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.0 110.136 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.03 -38.74 89.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.328 -0.858 . . . . 0.0 110.354 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.679 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.5 m-85 -64.76 -43.02 94.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.041 -1.037 . . . . 0.0 110.41 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.5 p -65.08 -31.75 73.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.024 -1.047 . . . . 0.0 109.933 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -68.79 -42.86 76.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.607 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.22 -42.68 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.076 -1.015 . . . . 0.0 110.217 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 HD12 ' A' ' 147' ' ' LEU . 82.2 mt -66.89 -44.99 79.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.9 t60 -70.13 -41.99 73.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 111.139 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 134' ' ' LEU . 80.4 mt -60.01 -33.35 71.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.191 -0.943 . . . . 0.0 111.588 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -143.08 61.88 1.4 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.275 . . . . 0.0 111.076 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -62.46 -38.48 89.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.007 -1.058 . . . . 0.0 109.153 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -69.11 -26.21 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.636 -0.665 . . . . 0.0 111.356 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.465 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -91.65 0.74 57.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.742 -1.224 . . . . 0.0 110.507 -178.492 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.1 mt -117.57 127.33 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.131 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.63 159.99 33.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.214 -0.929 . . . . 0.0 109.492 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.19 -38.54 91.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.205 -0.934 . . . . 0.0 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.2 m -64.85 -45.04 87.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.17 -38.33 90.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.394 -0.816 . . . . 0.0 109.354 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.547 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.06 -39.95 91.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.451 -0.78 . . . . 0.0 109.545 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.84 -41.92 83.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -0.833 . . . . 0.0 109.69 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.81 -40.25 94.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.0 109.415 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 132' ' ' LEU . 87.1 mt -65.03 -41.34 95.33 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.348 -0.845 . . . . 0.0 109.684 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.02 -36.78 80.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.483 -0.761 . . . . 0.0 109.487 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.19 -40.6 96.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.96 . . . . 0.0 109.136 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.41 -42.25 98.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.24 -0.912 . . . . 0.0 109.02 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.8 mt -66.31 -43.21 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.326 -0.859 . . . . 0.0 108.808 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.585 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.7 mmtt -61.16 -39.93 91.98 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.575 -0.703 . . . . 0.0 109.68 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.734 ' OH ' HD11 ' B' ' 154' ' ' LEU . 32.2 t80 -58.28 -43.78 88.17 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -40.84 91.07 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -59.03 -44.1 91.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.535 -0.728 . . . . 0.0 109.401 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.437 ' CG2' HG21 ' B' ' 166' ' ' ILE . 88.9 mt -69.6 -49.96 54.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.154 -0.966 . . . . 0.0 110.61 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.802 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.41 -34.94 79.07 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.193 -0.942 . . . . 0.0 110.886 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.913 HD23 HD11 ' B' ' 175' ' ' LEU . 36.5 tp -59.2 -35.16 73.1 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.68 ' HB2' HD23 ' B' ' 175' ' ' LEU . 2.3 t -66.01 -50.08 65.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.559 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -59.42 -38.55 80.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.633 -0.667 . . . . 0.0 109.704 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.558 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -65.48 -41.73 92.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -73.0 -24.23 60.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.683 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -84.12 -3.7 58.28 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.268 -0.895 . . . . 0.0 109.741 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 12.66 84.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.95 -29.09 60.83 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -1.155 . . . . 0.0 109.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.558 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.3 mm -106.42 132.04 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.915 . . . . 0.0 109.188 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.62 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.589 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.589 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 37.9 m-20 -74.88 19.96 0.13 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.642 HD12 HG22 ' A' ' 78' ' ' VAL . 19.6 tt -64.27 -41.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.537 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.3 m-20 -75.75 -43.08 48.44 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.93 -40.47 96.53 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.451 0.643 . . . . 0.0 109.738 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.753 . . . . 0.0 110.167 -179.204 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.613 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 76.7 mtp . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.656 0.741 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.42 -34.71 78.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.334 -0.853 . . . . 0.0 108.759 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.2 -35.94 76.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.95 -33.45 68.85 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.96 -30.8 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.135 -0.978 . . . . 0.0 108.85 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.64 -36.73 76.95 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -59.44 -35.76 74.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.28 83.84 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.075 -2.01 . . . . 0.0 108.075 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.83 -38.65 70.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.965 -1.315 . . . . 0.0 107.752 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.2 tt0 -60.37 -33.54 72.6 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.692 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.9 tt -54.57 -44.37 72.89 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.98 -40.22 92.6 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.358 -0.839 . . . . 0.0 109.252 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.28 -38.06 87.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.424 -0.798 . . . . 0.0 109.673 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.12 -50.31 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 110.347 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.734 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.4 mm? -66.5 -33.37 75.55 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.13 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.82 96.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.665 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.2 mtp -66.48 -39.47 88.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.144 -0.972 . . . . 0.0 109.641 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.91 -39.23 88.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.853 . . . . 0.0 109.506 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' B' ' 158' ' ' ASN . 1.3 p30 171.04 106.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.443 -0.786 . . . . 0.0 109.116 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.9 -36.38 72.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.115 -0.99 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.2 m -85.17 6.94 23.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.76 97.89 0.06 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -120.99 153.15 37.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.499 -1.001 . . . . 0.0 109.206 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.663 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -55.63 -33.59 64.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.171 -0.956 . . . . 0.0 109.367 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.22 -31.66 69.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.356 -0.84 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.15 -27.34 59.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 110.031 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.5 mt -98.76 133.25 41.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 108.883 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.5 m -60.14 69.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.378 -0.826 . . . . 0.0 110.194 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -62.89 -38.42 90.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.67 77.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.049 -1.032 . . . . 0.0 111.286 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.28 68.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.902 -1.124 . . . . 0.0 109.724 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 159' ' ' SER . 52.9 mt -64.15 -37.59 88.0 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.589 -0.694 . . . . 0.0 109.797 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.585 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.9 m-20 -58.6 -41.15 85.16 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.114 -0.991 . . . . 0.0 110.494 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.21 80.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.994 -1.066 . . . . 0.0 110.072 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.4 -33.97 77.21 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.708 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.913 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.56 -41.73 99.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 110.553 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.35 -38.79 92.51 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.017 -1.052 . . . . 0.0 109.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.75 65.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 108.982 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 162' ' ' ALA . 94.2 mt -65.28 -33.27 75.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 109.513 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.86 -41.78 83.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.95 . . . . 0.0 108.711 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.44 -32.92 72.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.206 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -61.16 -40.87 95.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.422 -0.799 . . . . 0.0 110.371 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -93.53 -17.93 22.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.211 -0.93 . . . . 0.0 110.233 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.274 0.559 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -60.43 -36.91 79.3 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.115 -0.99 . . . . 0.0 109.461 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.82 94.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 0.0 109.423 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.08 95.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.06 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.657 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 50.4 t -60.86 -43.66 96.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.16 -46.25 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.884 . . . . 0.0 109.571 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.91 89.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.5 m -62.34 -40.62 96.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.31 86.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.137 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -60.99 -32.25 71.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.85 . . . . 0.0 109.262 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -60.92 -43.12 99.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -0.822 . . . . 0.0 109.558 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 23' ' ' ILE . 86.2 m-85 -64.5 -38.97 92.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -61.01 -42.62 98.81 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.115 -0.991 . . . . 0.0 108.725 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -61.45 -30.14 70.4 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.58 -11.95 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.6 -0.688 . . . . 0.0 109.699 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.33 5.04 63.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.5 mt -96.09 70.22 2.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.296 . . . . 0.0 109.396 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -32.94 84.34 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.67 HD11 ' CE ' ' A' ' 79' ' ' MET . 77.2 mt -57.76 -43.32 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.026 -1.279 . . . . 0.0 109.915 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' CE2' ' A' ' 15' ' ' PHE . 35.1 mm -66.72 -46.26 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.747 -1.221 . . . . 0.0 108.579 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.61 -33.18 81.05 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 73.8 t80 -58.82 -49.78 76.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.455 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 45.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.091 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 27' ' ' LEU . 95.3 mt -64.03 -43.13 96.51 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.157 -0.964 . . . . 0.0 110.19 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' OE1' HG21 ' A' ' 55' ' ' THR . 96.7 mt-30 -60.83 -38.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.928 -1.107 . . . . 0.0 108.401 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.8 tp -65.5 -39.34 91.76 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.75 ' CE1' HD11 ' A' ' 34' ' ' LEU . 32.5 t80 -63.77 -44.13 94.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.496 -0.753 . . . . 0.0 109.879 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -65.45 -37.99 88.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.11 -48.07 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.116 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.3 mt-10 -64.04 -31.65 72.92 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.412 -0.805 . . . . 0.0 109.842 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.75 HD11 ' CE1' ' A' ' 30' ' ' TYR . 5.8 mp -61.02 -47.74 85.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.185 -0.947 . . . . 0.0 109.603 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.99 -45.93 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.295 -0.878 . . . . 0.0 109.309 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.68 -38.67 91.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 109.69 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -79.04 1.47 23.92 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.46 -0.775 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -98.28 127.12 44.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.339 -0.851 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.95 -35.68 80.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.96 125.72 39.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.215 -0.928 . . . . 0.0 110.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -139.72 120.15 14.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.827 . . . . 0.0 108.996 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 p -75.37 160.1 30.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.65 -35.09 65.57 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.958 -1.089 . . . . 0.0 108.656 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.87 -41.31 78.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.322 -0.861 . . . . 0.0 109.855 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.22 -38.42 78.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.022 -1.049 . . . . 0.0 110.021 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -58.15 -44.15 87.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.091 -1.006 . . . . 0.0 108.692 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.36 70.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.86 -39.74 92.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 109.613 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.56 85.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.101 -1.0 . . . . 0.0 109.554 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -62.93 -46.11 89.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.59 -40.68 92.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.74 -37.77 88.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.88 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.57 -40.55 83.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 110.002 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -39.66 88.98 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.243 -0.911 . . . . 0.0 109.321 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.418 HG21 ' OE1' ' A' ' 28' ' ' GLN . 85.8 m -61.65 -37.68 84.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.449 -0.782 . . . . 0.0 110.191 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.53 -51.5 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.276 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.3 -38.47 85.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.72 94.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 109.353 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 64.5 t80 -70.56 -49.05 52.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.353 -0.842 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.6 ' O ' ' N ' ' A' ' 64' ' ' GLY . 65.7 tttt -63.57 -40.75 97.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.302 -0.874 . . . . 0.0 109.355 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -63.13 -33.81 76.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 108.56 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.15 -31.2 68.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.597 -0.689 . . . . 0.0 109.178 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 63' ' ' ILE . 66.1 mt -124.04 9.21 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.519 -0.738 . . . . 0.0 109.733 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.86 -37.4 69.73 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.5 62.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -37.87 72.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.326 . . . . 0.0 108.83 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -134.87 -30.12 1.1 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.21 -31.4 72.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.85 78.4 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.431 -0.793 . . . . 0.0 109.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -42.56 85.92 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.046 -1.034 . . . . 0.0 108.379 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.71 -39.13 90.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.4 t -160.55 96.57 1.16 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.1 p30 -97.32 8.72 44.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.11 -75.61 0.54 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.968 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -67.05 -38.7 86.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 111.101 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 63' ' ' ILE . 33.0 tp -65.35 -35.11 79.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.598 -1.314 . . . . 0.0 109.487 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -59.37 -45.13 92.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.18 -43.53 97.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.67 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.7 ttt -59.7 -36.55 76.75 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 9.0 t-20 -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -57.39 -37.95 73.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 69.6 mt -59.84 -41.15 90.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.519 -0.738 . . . . 0.0 109.581 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -83.89 -45.19 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 111.623 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 42.3 m-70 -77.14 -47.08 21.34 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.047 . . . . 0.0 111.24 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -78.81 98.11 6.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.926 -1.109 . . . . 0.0 109.255 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.15 -36.34 83.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.232 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -47.38 84.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.166 -0.959 . . . . 0.0 110.335 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 61.1 tttm -65.93 -41.92 90.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.68 -38.01 88.69 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.002 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -46.14 72.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 0.0 109.752 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.9 mt -64.48 -46.37 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.78 -43.55 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -42.24 99.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.803 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.84 -40.22 94.56 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.41 -0.807 . . . . 0.0 108.882 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.31 -42.59 99.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.598 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.897 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.3 m -63.44 -45.83 89.1 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.336 -0.852 . . . . 0.0 108.868 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.28 -39.48 92.63 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.187 -0.946 . . . . 0.0 109.889 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m -62.72 -46.74 86.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 0.0 109.489 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 39.7 tp -67.05 -43.26 83.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.189 -0.944 . . . . 0.0 108.469 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.563 -0.711 . . . . 0.0 109.553 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' B' ' 150' ' ' LEU . 51.5 t-20 -63.26 -41.42 99.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.58 -39.92 92.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.085 -1.01 . . . . 0.0 110.026 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 121' ' ' LEU . 19.8 mmtm -64.43 -41.98 96.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.08 -1.013 . . . . 0.0 109.475 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 HD11 ' B' ' 150' ' ' LEU . 9.4 mp -67.06 -36.11 81.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.036 -1.04 . . . . 0.0 108.723 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.578 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.3 tttp -60.12 -42.28 94.42 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.9 mt-30 -61.64 -36.76 81.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.4 tp -58.08 -32.94 68.54 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 31.1 tttt -59.33 -40.49 86.48 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.688 -0.632 . . . . 0.0 110.24 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.495 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.4 m-20 -168.77 -23.24 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.229 -0.919 . . . . 0.0 110.583 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -50.05 156.41 2.17 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.55 140.91 84.14 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.791 2.327 . . . . 0.0 112.488 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.463 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.8 m-90 -105.85 137.0 44.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 108.922 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -154.82 173.46 16.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.955 -1.091 . . . . 0.0 110.421 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.1 t -55.4 -38.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.55 -42.42 74.64 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.103 -0.998 . . . . 0.0 108.75 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.583 HD13 ' OE1' ' A' ' 107' ' ' GLN . 51.7 tp -62.17 -38.35 88.72 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.304 -0.873 . . . . 0.0 109.016 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.2 tttt -58.14 -47.57 82.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.509 -0.745 . . . . 0.0 110.074 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -68.28 -38.29 81.55 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.472 -0.768 . . . . 0.0 110.04 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.1 m -61.47 -40.66 95.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.266 -0.897 . . . . 0.0 110.434 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.8 mt -62.28 -41.11 98.21 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.858 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.3 m95 -60.48 -39.05 86.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.386 -0.821 . . . . 0.0 109.07 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -42.51 90.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.385 -0.822 . . . . 0.0 109.415 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.2 m -60.93 -39.85 91.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.381 -0.824 . . . . 0.0 109.748 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.55 HG23 HG23 ' A' ' 151' ' ' ILE . 92.2 mt -57.79 -42.67 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -0.874 . . . . 0.0 109.944 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.16 -40.82 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.98 -38.91 90.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.865 . . . . 0.0 110.394 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' A' ' 151' ' ' ILE . 17.3 m-85 -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.9 m -62.11 -35.36 78.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.764 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 82.1 m -63.38 -44.8 93.7 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 110.065 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.567 HD11 ' OG1' ' A' ' 97' ' ' THR . 90.1 mt -58.97 -44.88 92.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.159 -0.963 . . . . 0.0 110.478 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 147' ' ' LEU . 84.0 mt -67.1 -41.76 85.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.0 -1.062 . . . . 0.0 110.002 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.595 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 5.3 t60 -70.53 -45.74 64.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.388 -0.82 . . . . 0.0 110.571 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.76 -34.42 75.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.177 -0.952 . . . . 0.0 111.132 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -141.38 53.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.869 -1.144 . . . . 0.0 110.621 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -37.46 87.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.016 -1.053 . . . . 0.0 108.963 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.77 -26.09 66.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.506 -0.747 . . . . 0.0 110.597 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -91.5 1.14 57.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.29 129.78 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.109 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -70.6 159.9 33.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.205 -0.935 . . . . 0.0 109.498 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -39.5 94.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -0.904 . . . . 0.0 109.524 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.3 m -62.71 -45.0 94.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m -63.75 -38.91 92.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 0.0 109.379 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.593 HG23 HD22 ' A' ' 132' ' ' LEU . 42.6 m -61.76 -39.81 92.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.385 -0.822 . . . . 0.0 109.488 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.79 -41.14 81.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.345 -0.847 . . . . 0.0 109.613 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.6 t -61.88 -41.67 98.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.342 -0.849 . . . . 0.0 109.334 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 132' ' ' LEU . 83.2 mt -64.65 -41.57 96.02 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.378 -0.826 . . . . 0.0 109.671 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.02 -36.5 79.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 20.7 tttp -61.77 -40.36 94.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -0.923 . . . . 0.0 109.082 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 150' ' ' ARG . 84.2 mtt-85 -62.34 -42.01 99.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.392 -0.818 . . . . 0.0 109.273 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 128' ' ' PHE . 79.2 mt -66.04 -42.73 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 108.938 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 5.8 mmtt -60.86 -41.16 95.37 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.634 -0.666 . . . . 0.0 109.841 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.672 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.1 t80 -57.08 -43.56 82.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.381 -0.824 . . . . 0.0 109.381 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 121' ' ' LEU . 2.6 m -64.42 -42.2 96.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.197 -0.939 . . . . 0.0 109.09 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -58.75 -44.01 90.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.358 -0.839 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.89 -50.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.176 -0.953 . . . . 0.0 110.658 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.815 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.1 m-85 -67.09 -36.08 81.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.238 -0.913 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.858 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.2 tp -59.96 -36.29 76.79 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 m -65.67 -43.24 89.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.52 -0.738 . . . . 0.0 110.051 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.474 ' NZ ' ' CZ ' ' A' ' 157' ' ' TYR . 50.0 mtmt -59.69 -37.78 79.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.171 -0.956 . . . . 0.0 109.492 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.9 mt -58.89 -35.12 72.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.039 -1.038 . . . . 0.0 108.233 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.565 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -65.11 -30.38 71.32 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.64 -0.663 . . . . 0.0 109.69 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' B' ' 171' ' ' LEU . 52.9 mttm -79.99 -15.99 56.09 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.055 -1.028 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.25 11.9 79.89 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.77 -28.66 60.84 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.475 -1.014 . . . . 0.0 110.039 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.93 131.32 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.011 . . . . 0.0 109.023 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.463 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.971 -1.461 . . . . 0.0 109.605 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' B' ' 130' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.51 ' N ' HG22 ' B' ' 128' ' ' ILE . 78.0 m-20 -75.4 19.64 0.17 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.631 HD12 HG22 ' A' ' 78' ' ' VAL . 20.8 tt -65.64 -43.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.567 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -69.84 -41.72 74.55 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -69.95 -40.17 75.6 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.462 0.649 . . . . 0.0 110.366 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.735 -178.803 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.632 0.73 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.519 HD22 ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -56.5 -33.67 66.22 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.843 -1.161 . . . . 0.0 108.36 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.86 -36.22 76.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.422 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.473 HD22 ' N ' ' B' ' 143' ' ' LEU . 4.4 mm? -58.89 -35.98 73.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 108.909 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.98 -31.24 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 119.196 -1.002 . . . . 0.0 108.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.7 -38.78 75.81 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 91.1 mt-30 -59.65 -36.18 75.89 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.62 -33.21 84.2 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.8 -39.35 73.97 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.273 . . . . 0.0 108.191 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.578 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.0 tt0 -60.78 -34.25 74.21 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 105' ' ' LEU . 6.7 tt -55.3 -43.48 74.85 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.23 -40.17 89.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.295 -0.878 . . . . 0.0 108.849 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 9.4 tm-20 -62.32 -37.9 87.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -64.3 -50.6 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 110.445 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.6 mm? -66.3 -33.26 75.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.84 97.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.333 -0.854 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.3 mtp -65.11 -40.7 94.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 109.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.82 -42.93 98.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 19.8 t-20 -177.49 107.42 0.06 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -57.25 -36.25 70.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.112 -0.993 . . . . 0.0 108.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -85.41 6.53 26.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.93 97.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.9 tp10 -124.28 152.63 42.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.507 -0.996 . . . . 0.0 108.939 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.634 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.29 -34.12 63.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 109.507 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 164' ' ' ASP . . . . . 0.408 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.5 m-20 -59.17 -33.77 71.32 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.32 -0.862 . . . . 0.0 109.34 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.76 -21.04 57.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -101.2 132.11 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.257 -0.902 . . . . 0.0 108.94 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.6 m -59.6 70.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.209 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 54.1 t0 -62.98 -36.61 84.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.84 77.2 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.168 -0.957 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -42.55 68.89 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.736 -1.228 . . . . 0.0 109.763 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.7 mt -63.19 -38.52 91.48 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 93.2 m-20 -61.1 -42.68 98.96 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.168 -0.958 . . . . 0.0 110.426 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.92 86.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.995 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.53 -37.06 84.19 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 110.281 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.481 HD11 HD23 ' A' ' 158' ' ' LEU . 18.9 tp -67.81 -35.09 78.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.921 -1.112 . . . . 0.0 110.495 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.0 m-20 -62.23 -40.64 96.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.943 -1.098 . . . . 0.0 109.347 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.68 67.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.07 -1.019 . . . . 0.0 108.476 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 162' ' ' ALA . 31.5 tp -64.73 -38.53 91.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.67 -41.64 77.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.698 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -61.71 -36.34 80.63 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.2 -0.938 . . . . 0.0 109.257 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.39 -47.19 74.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 110.31 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 27.9 m-20 -70.48 -37.86 74.3 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.3 -1.586 0 O-C-N 121.582 -0.699 . . . . 0.0 109.16 -179.666 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.53 -37.94 82.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 0.0 109.148 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.25 -39.48 92.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 109.418 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.37 97.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.89 -41.65 92.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 84.3 t -60.95 -40.03 84.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.232 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.74 -47.57 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -0.917 . . . . 0.0 109.146 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.8 78.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.883 . . . . 0.0 108.675 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.424 HG21 ' SG ' ' A' ' 123' ' ' CYS . 55.8 m -61.56 -38.4 87.36 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.45 81.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.271 -0.893 . . . . 0.0 108.597 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -60.8 -31.51 70.89 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.441 -0.787 . . . . 0.0 109.016 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.61 -40.51 92.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.419 -0.801 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 23' ' ' ILE . 62.7 m-85 -63.76 -37.71 88.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.459 -0.776 . . . . 0.0 109.632 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.92 -41.57 96.42 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.09 -1.007 . . . . 0.0 109.021 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.23 -30.83 69.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.447 -0.783 . . . . 0.0 109.191 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.53 -8.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.335 -0.853 . . . . 0.0 109.79 -179.464 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.06 5.16 62.61 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.004 -1.093 . . . . 0.0 110.453 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 20' ' ' LEU . 69.8 mt -96.33 63.52 2.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.381 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -32.85 80.55 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.72 -43.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.979 -1.307 . . . . 0.0 109.757 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.3 mm -67.33 -48.4 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.058 -1.026 . . . . 0.0 108.824 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.56 80.32 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.2 t80 -58.66 -49.39 77.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -1.093 . . . . 0.0 109.942 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.479 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 44.7 m-85 -67.25 -36.2 81.14 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.943 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.4 mt -63.83 -41.87 97.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 0.0 110.156 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.411 HE22 HG21 ' A' ' 55' ' ' THR . 95.7 mt-30 -61.03 -40.62 94.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.956 -1.09 . . . . 0.0 108.65 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.65 -38.54 89.63 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.72 ' O ' HD13 ' A' ' 34' ' ' LEU . 66.2 t80 -63.38 -43.73 96.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.552 -0.717 . . . . 0.0 110.469 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.79 92.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.147 -0.971 . . . . 0.0 110.24 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.36 -47.3 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 110.228 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -63.9 -31.57 72.8 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.377 -0.827 . . . . 0.0 109.931 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.4 mp -60.94 -46.85 89.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 80.6 mt -63.84 -47.04 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.19 -37.24 86.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.461 -0.774 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -68.17 -14.46 63.0 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.54 127.33 36.94 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.399 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -35.92 81.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -91.99 125.92 36.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.884 . . . . 0.0 110.026 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -132.05 142.53 49.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.386 -0.821 . . . . 0.0 109.387 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -109.49 157.37 19.05 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -52.13 -34.55 44.95 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.964 -1.085 . . . . 0.0 108.305 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.52 -42.8 82.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.376 -0.827 . . . . 0.0 110.02 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.4 mmm -75.36 -42.38 54.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.883 -1.136 . . . . 0.0 109.637 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.0 m -61.91 -44.95 95.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 109.54 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.55 77.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.75 -40.57 97.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.825 . . . . 0.0 109.689 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -65.3 -39.71 92.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 0.0 109.656 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -60.02 -45.95 91.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.363 -0.836 . . . . 0.0 110.504 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.44 -38.0 79.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.643 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.73 -36.7 85.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 83.1 mt -58.08 -40.02 80.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.05 -40.86 97.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.242 -0.911 . . . . 0.0 109.131 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.411 HG21 HE22 ' A' ' 28' ' ' GLN . 41.4 m -65.96 -44.16 85.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 110.036 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.75 -51.38 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.977 . . . . 0.0 109.43 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.87 -39.64 93.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.66 88.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.105 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.8 t80 -67.72 -48.8 65.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.369 -0.832 . . . . 0.0 109.729 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.0 tttt -63.84 -40.42 96.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.836 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.11 -33.78 76.18 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -59.05 -31.39 68.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.094 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -123.44 10.04 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.804 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.52 -37.75 61.41 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.64 3.6 64.38 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.31 -37.09 81.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.906 -1.349 . . . . 0.0 109.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.13 -29.44 1.11 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.1 -30.55 71.68 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.41 -0.807 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -43.7 80.32 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.176 -0.953 . . . . 0.0 108.451 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.27 -39.08 92.14 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 72' ' ' SER . 13.2 p -161.03 97.08 1.13 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -97.71 7.32 46.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 109.665 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -95.32 -75.92 0.51 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 110.117 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.7 p -67.37 -38.88 85.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 111.247 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 63' ' ' ILE . 37.2 tp -67.93 -34.84 77.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.516 -1.365 . . . . 0.0 109.739 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.2 t60 -59.8 -45.13 93.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.172 -0.955 . . . . 0.0 109.596 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.62 -42.56 95.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.295 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.466 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.7 ttt -58.28 -36.09 72.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.34 -32.55 71.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.493 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.582 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.2 m -56.93 -37.6 71.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.0 mt -60.36 -40.36 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.55 -0.719 . . . . 0.0 109.54 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.4 mt -85.88 -45.21 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.255 -0.903 . . . . 0.0 111.413 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.427 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 77.2 m80 -74.37 -48.13 29.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.901 . . . . 0.0 111.069 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.73 98.46 9.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.444 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.1 mp0 -64.49 -35.12 79.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.931 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.8 tt0 -60.53 -47.7 85.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.171 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' CE ' HD13 ' B' ' 130' ' ' ILE . 44.3 tttp -67.07 -41.86 85.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.039 -1.038 . . . . 0.0 108.95 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.46 -37.82 87.39 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -45.75 70.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.583 -0.698 . . . . 0.0 109.376 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.32 -45.69 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.542 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.38 -44.61 96.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.43 -42.95 99.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.88 -39.7 94.79 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.29 -44.1 97.3 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.586 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -48.27 71.09 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 59.3 m -62.27 -44.4 96.62 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.489 -0.757 . . . . 0.0 109.398 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.98 -39.62 94.54 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.183 -0.948 . . . . 0.0 109.716 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -63.25 -46.49 86.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.88 -46.75 77.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.929 . . . . 0.0 108.962 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.805 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 32.7 t80 -63.27 -38.63 91.93 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.497 -0.752 . . . . 0.0 109.754 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.3 -38.73 80.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.27 -39.52 92.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 0.0 109.777 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.594 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 25.2 mmtt -63.09 -45.63 91.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.142 -0.974 . . . . 0.0 109.583 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 62.2 mt -68.04 -36.74 80.4 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.192 -0.942 . . . . 0.0 108.505 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 27.2 tttp -60.83 -45.85 92.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.7 mt-30 -63.07 -36.79 84.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 157' ' ' TYR . 7.9 tp -58.34 -33.0 69.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB2' HG13 ' B' ' 153' ' ' VAL . 61.2 tttt -59.09 -40.77 86.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.71 -0.619 . . . . 0.0 109.975 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.2 m-20 -168.48 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.216 -0.928 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -63.34 157.82 39.97 Favored Glycine 0 N--CA 1.494 2.548 0 O-C-N 120.652 -1.28 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.82 138.69 70.26 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.893 2.395 . . . . 0.0 112.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.441 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.4 m-90 -106.15 136.06 46.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.357 -0.839 . . . . 0.0 109.069 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -156.11 172.63 18.1 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.042 -1.037 . . . . 0.0 110.335 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -55.69 -38.31 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.698 -0.626 . . . . 0.0 109.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.4 ttp -54.83 -42.42 71.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.838 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 tp -62.54 -35.73 80.36 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.28 -0.887 . . . . 0.0 108.984 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 77.5 tttt -58.01 -47.41 83.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 110.021 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -67.81 -39.52 83.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 109.895 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.594 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 7.6 t -62.78 -40.01 95.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 109.812 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.227 -0.921 . . . . 0.0 109.584 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.856 ' NE1' HD21 ' A' ' 158' ' ' LEU . 44.2 m95 -61.24 -37.44 83.08 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.214 -0.929 . . . . 0.0 109.076 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' THR . 0.1 OUTLIER -66.67 -40.19 88.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.358 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.01 -39.58 95.2 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.858 . . . . 0.0 109.638 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.428 HG23 HG23 ' A' ' 151' ' ' ILE . 97.5 mt -58.2 -42.36 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.84 -40.53 93.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.53 -39.68 94.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 110.349 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 151' ' ' ILE . 11.4 m-85 -65.59 -42.92 91.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 110.301 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.7 p -63.74 -32.56 74.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.046 -1.034 . . . . 0.0 109.797 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 91.2 m -69.08 -43.03 75.39 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.6 mt -58.91 -44.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.192 -0.943 . . . . 0.0 110.076 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 147' ' ' LEU . 88.5 mt -69.84 -44.78 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.016 -1.052 . . . . 0.0 109.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.584 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.6 t60 -68.39 -43.75 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.541 -0.724 . . . . 0.0 111.022 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.0 mt -60.87 -33.13 72.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.228 -0.92 . . . . 0.0 111.565 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -140.4 60.23 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.78 -1.2 . . . . 0.0 110.944 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -62.01 -38.22 87.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.907 -1.121 . . . . 0.0 109.206 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.21 -27.13 66.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.493 -0.754 . . . . 0.0 111.144 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.444 HD21 ' HG3' ' A' ' 87' ' ' GLU . 49.7 t30 -91.64 1.52 57.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.75 -1.219 . . . . 0.0 110.389 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 132' ' ' LEU . 78.3 mt -118.35 125.97 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.254 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m -70.93 159.93 33.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.351 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -64.85 -38.5 91.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 109.512 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.4 m -65.03 -45.42 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.1 p -65.75 -33.83 76.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -0.85 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.522 HG23 HD22 ' A' ' 132' ' ' LEU . 50.6 m -63.33 -40.77 98.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 109.296 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -58.0 -39.41 78.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.368 -0.832 . . . . 0.0 109.592 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -61.9 -41.78 98.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.282 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.717 HD12 HD21 ' A' ' 132' ' ' LEU . 87.9 mt -67.19 -41.06 86.49 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.721 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.89 -36.58 79.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.401 -0.812 . . . . 0.0 109.394 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -61.63 -40.79 96.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.166 -0.958 . . . . 0.0 108.959 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.562 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 87.3 mtt-85 -62.27 -42.61 99.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 108.988 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.3 mt -65.35 -44.78 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.413 -0.805 . . . . 0.0 108.878 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.592 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 8.0 mmtt -61.21 -40.34 93.61 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 49.5 t80 -57.69 -43.31 85.02 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 2.8 m -64.36 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.338 -0.851 . . . . 0.0 108.924 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.81 -43.99 90.71 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.442 -0.786 . . . . 0.0 109.779 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.87 -50.36 49.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.234 -0.916 . . . . 0.0 110.661 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.148 -0.97 . . . . 0.0 110.498 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.856 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -59.84 -38.53 82.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.139 -0.976 . . . . 0.0 108.485 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.1 t -67.18 -45.32 77.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.363 -0.836 . . . . 0.0 109.593 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.72 -37.79 82.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.527 -0.733 . . . . 0.0 109.531 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -64.27 -42.1 96.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.735 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.589 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.07 -24.31 61.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.378 -0.826 . . . . 0.0 109.669 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.565 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 14.3 mtpt -83.65 -4.48 58.62 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.344 -0.848 . . . . 0.0 109.788 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.25 11.77 85.0 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.97 -29.05 60.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.191 -1.182 . . . . 0.0 109.831 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.8 mm -107.15 132.15 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.075 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 CA-C-O 118.041 -1.422 . . . . 0.0 109.553 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.608 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.608 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 61.4 m-20 -75.28 19.71 0.16 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -63.43 -43.71 98.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.566 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.1 m-20 -75.87 -42.32 49.68 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.742 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -63.4 -39.32 94.18 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.381 0.61 . . . . 0.0 109.894 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LEU . . . . . 0.404 HD21 ' CE ' ' A' ' 79' ' ' MET . 1.1 tp . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 109.581 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.818 0.818 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.552 HD22 ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -60.58 -33.18 72.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 108.463 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.07 -36.45 75.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 143' ' ' LEU . 3.0 mm? -58.98 -38.26 78.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 46.7 mt -68.54 -32.17 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.53 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.67 -38.1 71.74 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.26 -36.35 75.34 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.26 81.05 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.82 -39.61 71.63 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.884 -1.362 . . . . 0.0 107.885 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 72.0 tt0 -61.53 -33.48 73.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.599 ' CG ' HD12 ' A' ' 105' ' ' LEU . 7.2 tt -54.75 -44.5 73.68 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.88 -39.83 93.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.25 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 1.5 tm-20 -61.82 -39.39 91.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.447 -0.783 . . . . 0.0 109.835 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.501 HG13 ' HB2' ' A' ' 109' ' ' LYS . 40.1 t -63.54 -50.36 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.027 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.7 mm? -66.86 -34.48 77.89 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.155 -0.965 . . . . 0.0 109.425 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.36 86.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.215 -0.928 . . . . 0.0 109.753 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.56 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 53.3 mtt -68.37 -39.94 81.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.0 109.916 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.93 -42.4 98.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.406 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 16.4 t-20 -176.16 102.75 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.87 -35.72 71.36 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.099 -1.0 . . . . 0.0 109.122 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 42.7 p -84.4 3.96 33.66 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 161' ' ' GLY . . . . . 0.586 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.77 97.79 0.06 OUTLIER Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.5 tp10 -125.03 151.97 44.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.608 -0.936 . . . . 0.0 109.138 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.646 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.31 -35.25 67.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.14 -0.975 . . . . 0.0 109.552 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 164' ' ' ASP . . . . . 0.412 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.8 m-20 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.9 -20.64 57.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.636 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.2 mt -102.93 132.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.229 -0.92 . . . . 0.0 108.933 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 70.8 m -59.02 71.76 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.444 -0.785 . . . . 0.0 110.251 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.5 t0 -65.4 -38.88 91.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.89 76.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.045 -1.035 . . . . 0.0 111.457 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.31 -43.11 67.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.873 -1.142 . . . . 0.0 109.812 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.21 -38.04 89.59 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.57 -0.706 . . . . 0.0 110.231 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.592 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.4 m-20 -60.32 -43.11 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.125 -0.984 . . . . 0.0 110.545 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.44 79.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.091 -1.006 . . . . 0.0 109.878 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.565 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 95.3 mt-10 -64.66 -36.33 83.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.527 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.39 -35.57 80.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.918 -1.114 . . . . 0.0 110.585 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.5 m-20 -61.38 -36.99 81.78 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.948 -1.095 . . . . 0.0 108.349 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.34 -43.26 70.61 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.589 HD13 ' CB ' ' A' ' 162' ' ' ALA . 98.1 mt -66.01 -35.39 80.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.391 -0.818 . . . . 0.0 109.69 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.59 -40.02 71.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.987 -1.071 . . . . 0.0 108.261 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.68 -33.88 74.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.569 -0.707 . . . . 0.0 109.113 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.65 -40.93 96.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.768 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -93.53 -17.59 23.2 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.045 -1.034 . . . . 0.0 110.821 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.3 -1.558 0 O-C-N 121.08 -1.013 . . . . 0.0 109.513 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.82 -38.66 86.19 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.24 -0.913 . . . . 0.0 109.278 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.71 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.162 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.58 90.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.22 -0.925 . . . . 0.0 108.912 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.8 -46.29 89.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.381 -0.824 . . . . 0.0 108.876 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.448 HG11 ' HD2' ' A' ' 30' ' ' TYR . 61.8 t -61.79 -39.99 85.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.46 -45.88 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.75 81.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 108.89 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -62.49 -38.82 91.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.462 -0.774 . . . . 0.0 109.214 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.23 91.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.115 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -60.84 -31.69 71.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.354 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -60.67 -41.79 95.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 0.0 109.326 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 23' ' ' ILE . 75.8 m-85 -64.02 -39.16 93.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.311 -0.868 . . . . 0.0 109.785 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.13 -39.74 91.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.026 -1.046 . . . . 0.0 108.984 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -61.02 -31.81 71.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.473 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG11 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.56 -9.48 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.912 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 7.98 61.22 Favored Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.941 -1.123 . . . . 0.0 110.548 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 HG11 ' A' ' 18' ' ' VAL . 38.6 mt -95.8 65.99 2.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.332 . . . . 0.0 109.383 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.35 -33.86 86.12 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.84 -43.62 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.025 -1.28 . . . . 0.0 109.607 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.3 mm -68.24 -47.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.053 -1.029 . . . . 0.0 108.825 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.62 -32.42 78.38 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.1 t80 -58.55 -48.52 80.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.389 -1.065 . . . . 0.0 109.991 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 33.0 m-85 -67.19 -36.31 81.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.161 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.59 -41.36 98.36 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.035 -1.041 . . . . 0.0 109.949 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.35 -39.68 93.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.064 -1.022 . . . . 0.0 109.109 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.25 -39.55 94.19 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.4 -0.812 . . . . 0.0 109.116 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.739 ' CE1' HD11 ' A' ' 34' ' ' LEU . 19.5 t80 -63.21 -42.54 99.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.458 -0.776 . . . . 0.0 110.192 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.73 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.241 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.41 -46.34 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.124 -0.985 . . . . 0.0 110.446 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.056 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -60.63 -47.74 84.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.126 -0.984 . . . . 0.0 109.603 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 87.0 mt -62.26 -43.86 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.34 -33.35 75.52 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.491 -0.756 . . . . 0.0 110.154 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.0 p -67.11 -16.71 64.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -89.26 122.25 32.33 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.563 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.52 -35.54 80.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 109.691 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -86.02 125.72 33.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.96 142.71 44.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.363 -0.835 . . . . 0.0 109.633 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.7 m -114.11 159.77 19.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.39 54.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.828 -1.17 . . . . 0.0 108.487 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.63 -44.94 66.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.824 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.476 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.3 mtp -68.98 -40.8 78.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.896 -1.128 . . . . 0.0 109.82 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.4 m -62.4 -41.98 99.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.326 -0.859 . . . . 0.0 109.671 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.23 86.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 109.77 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.48 -42.29 99.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 0.0 109.509 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -67.37 -41.95 84.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.436 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.03 -45.78 91.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.31 -38.43 74.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.597 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 56' ' ' ILE . 95.6 mt -64.74 -37.17 86.7 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.85 -39.46 81.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.994 -1.066 . . . . 0.0 109.206 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -61.69 -42.22 98.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.31 -0.869 . . . . 0.0 109.227 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.4 m -64.88 -43.05 94.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.885 . . . . 0.0 109.684 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 52' ' ' LEU . 1.4 mp -56.48 -51.11 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.16 -38.01 87.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.27 -0.894 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.05 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.152 -0.967 . . . . 0.0 109.058 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.98 -48.83 56.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.548 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 64' ' ' GLY . 56.9 tttt -64.01 -39.49 94.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.391 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.9 -34.01 76.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.93 . . . . 0.0 108.586 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.22 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 63' ' ' ILE . 74.5 mt -123.77 13.38 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.664 -0.648 . . . . 0.0 109.749 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.96 -33.43 13.46 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.26 17.73 45.39 Favored Glycine 0 N--CA 1.489 2.174 0 O-C-N 121.202 -1.175 . . . . 0.0 110.527 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.12 -88.41 0.16 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.9 -1.353 . . . . 0.0 108.557 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.7 m -68.93 -34.02 74.69 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.93 -31.25 72.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.627 -0.67 . . . . 0.0 109.364 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -58.02 -37.94 75.27 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.203 -0.936 . . . . 0.0 108.86 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.03 -42.35 98.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -68.84 -40.26 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.539 -0.725 . . . . 0.0 109.191 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 t -165.83 98.97 0.66 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -100.37 7.88 44.01 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.299 -0.875 . . . . 0.0 109.462 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -95.93 -76.65 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.197 -0.94 . . . . 0.0 110.08 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -67.5 -39.33 85.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.34 -0.85 . . . . 0.0 111.259 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD11 HG12 ' A' ' 63' ' ' ILE . 35.0 tp -69.1 -34.91 75.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.663 -1.273 . . . . 0.0 109.909 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.583 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -59.81 -45.07 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.191 -0.943 . . . . 0.0 109.55 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.636 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -62.81 -41.0 90.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.479 ' SD ' HD21 ' B' ' 133' ' ' LEU . 9.9 ttt -58.41 -36.07 73.01 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.04 -32.74 71.19 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 178.609 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -56.61 -37.46 70.72 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.58 -41.32 94.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.4 mt -85.56 -45.33 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.145 -0.972 . . . . 0.0 111.265 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -72.33 -46.14 56.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 111.131 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -82.37 101.45 10.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.885 -1.135 . . . . 0.0 109.583 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -36.72 85.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 138' ' ' ASN . 85.0 tt0 -62.82 -47.66 82.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.2 -0.937 . . . . 0.0 110.41 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -65.87 -41.89 91.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.116 -0.99 . . . . 0.0 109.389 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.48 -37.76 88.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.0 108.759 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -44.83 67.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.426 -0.796 . . . . 0.0 109.592 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.98 -42.76 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.99 -43.93 90.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.058 -1.026 . . . . 0.0 109.598 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.58 -41.72 99.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.006 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.37 -42.71 98.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.451 -0.781 . . . . 0.0 109.061 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' B' ' 140' ' ' MET . 94.2 m-20 -63.36 -40.5 97.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.237 -0.915 . . . . 0.0 109.341 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -65.09 -49.75 68.77 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.007 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.478 ' OG1' HD11 ' A' ' 131' ' ' ILE . 72.9 m -63.46 -45.12 92.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.0 108.961 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.0 mmm -62.69 -39.36 93.76 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 109.352 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -63.32 -46.74 85.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.309 -0.869 . . . . 0.0 109.075 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.04 -45.03 78.68 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.789 ' CE2' HD11 ' A' ' 105' ' ' LEU . 64.6 t80 -61.19 -43.36 99.01 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.581 -0.7 . . . . 0.0 109.351 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.84 -37.73 85.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 0.0 109.796 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.25 -41.93 98.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 110.115 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -64.67 -45.33 87.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 109.458 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TYR . 49.8 mt -65.19 -36.86 85.52 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.184 -0.947 . . . . 0.0 108.547 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.9 tttp -61.62 -46.23 90.72 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -63.38 -36.72 84.65 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 157' ' ' TYR . 6.4 tp -57.94 -32.91 68.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.651 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.3 tttt -58.83 -39.51 81.45 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.726 -0.609 . . . . 0.0 110.046 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.0 m-20 -167.49 -18.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.278 -0.889 . . . . 0.0 110.632 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -54.17 155.34 7.55 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.49 140.22 74.69 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.778 2.319 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.473 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.2 m-90 -106.09 135.8 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -155.52 172.57 18.03 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.01 -1.056 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.48 -39.01 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.85 -42.69 80.14 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.069 -1.02 . . . . 0.0 108.778 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.39 -36.86 83.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.824 . . . . 0.0 108.917 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 87.0 tttt -57.02 -47.48 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.481 -0.762 . . . . 0.0 109.94 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -65.4 -38.61 90.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.485 -0.759 . . . . 0.0 110.002 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.6 p -65.34 -35.47 81.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.192 -0.943 . . . . 0.0 110.1 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 121' ' ' LEU . 87.1 mt -62.37 -39.16 92.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.093 -1.004 . . . . 0.0 109.134 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.891 ' NE1' HD21 ' A' ' 158' ' ' LEU . 56.9 m95 -62.62 -38.42 90.14 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -41.92 99.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.427 -0.796 . . . . 0.0 109.69 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 m -61.93 -39.72 93.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -58.99 -42.53 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.865 . . . . 0.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -62.32 -41.78 98.83 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.195 -0.941 . . . . 0.0 110.501 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.18 -39.39 89.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 0.0 110.663 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.613 ' HB3' HD11 ' A' ' 151' ' ' ILE . 20.0 m-85 -63.73 -42.64 97.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.967 -1.083 . . . . 0.0 110.357 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -62.44 -36.71 83.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.01 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.74 -41.19 92.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.856 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.0 mt -59.42 -44.34 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.045 -1.034 . . . . 0.0 110.431 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 147' ' ' LEU . 81.2 mt -67.03 -41.78 86.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.067 . . . . 0.0 110.019 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.519 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.8 t60 -70.4 -45.92 65.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.493 HD12 ' SG ' ' A' ' 130' ' ' CYS . 91.1 mt -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.213 -0.93 . . . . 0.0 111.395 -178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -144.39 54.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 110.716 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -38.75 92.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.899 -1.125 . . . . 0.0 109.128 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.42 -24.41 65.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.432 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.3 t30 -91.43 1.69 56.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.917 -1.114 . . . . 0.0 110.098 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.02 131.96 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.031 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.31 160.02 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.26 -38.04 89.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.0 m -63.2 -45.06 93.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.373 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 m -63.47 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 0.0 109.338 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 m -61.29 -39.97 92.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.75 -41.87 82.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 0.0 109.531 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.5 m -62.21 -40.51 96.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.235 -0.915 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.489 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -65.03 -41.57 95.15 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.432 -0.792 . . . . 0.0 109.708 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -62.25 -41.41 98.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 108.98 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.84 -42.71 99.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.306 -0.872 . . . . 0.0 109.081 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -66.0 -43.18 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.18 -38.39 86.34 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.611 -0.681 . . . . 0.0 109.764 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.687 ' OH ' HD11 ' B' ' 154' ' ' LEU . 17.1 t80 -60.27 -43.99 95.72 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.419 -0.801 . . . . 0.0 108.932 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -43.3 82.34 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.307 -0.871 . . . . 0.0 108.887 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.12 -44.17 92.0 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.372 -0.83 . . . . 0.0 109.551 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.912 HG21 HD12 ' B' ' 166' ' ' ILE . 89.7 mt -70.04 -48.72 61.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.943 -1.098 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.628 ' CE2' HD11 ' A' ' 108' ' ' LEU . 1.4 m-85 -65.03 -35.73 82.12 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 110.73 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 1.055 HD23 HD11 ' B' ' 175' ' ' LEU . 30.7 tp -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.611 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.36 -39.72 74.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.261 -0.9 . . . . 0.0 109.411 179.131 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.46 -39.05 86.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.11 -36.89 75.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.182 -0.948 . . . . 0.0 108.543 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' B' ' 178' ' ' LEU . . . -64.69 -29.78 70.78 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.499 -0.751 . . . . 0.0 109.643 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -78.43 -16.15 57.89 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.239 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.05 11.12 79.43 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -74.68 -28.44 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.461 -1.023 . . . . 0.0 109.775 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 113' ' ' TRP . 17.4 mm -102.44 132.36 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.118 -0.989 . . . . 0.0 109.065 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.473 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 117.947 -1.474 . . . . 0.0 109.614 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.4 m120 -74.38 20.05 0.12 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.636 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -63.64 -39.71 86.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.514 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -72.22 -40.55 67.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.427 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -73.63 -37.4 65.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 109.704 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' ' 79' ' ' MET . 3.6 tp . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.476 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.0 mtm . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.829 0.823 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 141' ' ' LEU . 93.2 mt -58.28 -33.66 69.68 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 109.073 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.07 -36.19 74.64 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 39.4 mt -58.77 -32.81 69.64 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.94 -30.28 47.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 C-N-CA 119.144 -1.023 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.73 -37.15 78.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -59.46 -35.66 74.5 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.32 83.58 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -55.76 -38.53 69.97 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.8 tt0 -60.35 -33.63 72.7 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.686 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.9 tt -54.9 -44.5 74.19 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.72 -40.53 95.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.382 -0.824 . . . . 0.0 109.246 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.2 tm-20 -62.64 -37.65 87.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.528 -0.732 . . . . 0.0 109.611 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.68 -50.21 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 110.437 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.687 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.9 mm? -66.16 -33.39 75.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.136 -0.977 . . . . 0.0 109.309 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.02 99.0 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.2 -0.938 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.651 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.0 mtp -66.87 -39.39 87.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.612 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.522 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.8 t-20 -60.84 -39.69 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -0.901 . . . . 0.0 109.509 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.522 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 0.8 OUTLIER 169.5 106.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.409 -0.807 . . . . 0.0 109.17 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.231 -0.918 . . . . 0.0 108.974 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.8 p -82.13 1.89 34.01 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.51 98.23 0.07 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -125.88 153.76 43.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.517 -0.99 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.604 ' N ' HD12 ' B' ' 163' ' ' LEU . 8.3 mp -54.34 -35.46 62.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.47 -29.72 70.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.8 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.93 -21.78 58.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.103 -0.998 . . . . 0.0 110.182 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.912 HD12 HG21 ' A' ' 156' ' ' ILE . 4.4 pt -109.65 139.56 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.464 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 167' ' ' SER . . . . . 0.712 ' O ' HD12 ' B' ' 171' ' ' LEU . 29.0 t -60.35 80.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.396 -0.815 . . . . 0.0 110.163 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.487 ' OD1' ' OD2' ' B' ' 172' ' ' ASP . 46.1 t0 -62.6 -36.53 83.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 110.266 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.6 79.19 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.114 -0.991 . . . . 0.0 111.155 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -71.22 -45.19 63.83 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.854 -1.154 . . . . 0.0 109.389 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 156' ' ' ILE . 12.2 mt -60.93 -38.85 87.23 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.752 -0.592 . . . . 0.0 109.934 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -67.46 -44.1 79.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 110.347 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.85 84.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.64 -32.82 74.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 1.055 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -63.15 -43.37 98.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 0.0 110.671 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.53 -40.6 97.45 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.01 -1.056 . . . . 0.0 109.543 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.18 67.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 162' ' ' ALA . 88.5 mt -65.38 -34.86 79.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.289 -0.882 . . . . 0.0 110.079 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.543 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.84 -43.48 85.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.072 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -61.33 -37.31 82.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.388 -0.82 . . . . 0.0 109.461 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.4 tm-20 -69.13 -45.61 69.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 110.08 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.575 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.2 m-20 -72.24 -35.53 68.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.3 -1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.242 -179.378 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.8 m120 -61.02 -36.74 80.31 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.262 -0.899 . . . . 0.0 109.104 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.17 -39.62 93.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.487 -0.758 . . . . 0.0 109.428 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.67 75.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.939 . . . . 0.0 109.601 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -59.91 -39.14 84.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 4' ' ' ASN . 65.7 t -60.27 -41.84 88.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.36 -46.38 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.0 109.308 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.77 83.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 108.862 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -61.43 -38.87 88.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.457 -0.777 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.94 84.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.223 -0.923 . . . . 0.0 108.734 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -61.46 -32.21 72.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.366 -0.834 . . . . 0.0 109.272 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.64 -41.23 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -63.69 -37.06 85.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.337 -0.852 . . . . 0.0 109.672 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.99 -42.15 97.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.065 -1.022 . . . . 0.0 108.889 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.72 -30.28 69.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.069 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.36 -10.57 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.51 -0.744 . . . . 0.0 109.723 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.13 4.82 62.73 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' H ' HG12 ' A' ' 18' ' ' VAL . 78.2 mt -95.96 55.3 1.57 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.068 -1.254 . . . . 0.0 109.237 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.72 61.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.453 HD11 ' CE ' ' A' ' 79' ' ' MET . 5.4 mm -57.64 -43.14 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.02 -1.283 . . . . 0.0 109.37 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.45 -48.03 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.985 -1.072 . . . . 0.0 108.697 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.55 -32.2 77.31 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 83.2 t80 -58.32 -47.98 81.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.357 -1.084 . . . . 0.0 109.769 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 36.7 m-85 -67.42 -36.46 81.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.17 -0.956 . . . . 0.0 110.029 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.89 -41.31 99.38 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.068 -1.02 . . . . 0.0 110.02 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.437 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -62.23 -40.7 97.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 109.012 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.34 -40.36 89.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.371 -0.831 . . . . 0.0 109.368 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 34' ' ' LEU . 10.2 t80 -66.28 -44.92 82.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 0.0 110.316 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.65 85.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.083 -1.011 . . . . 0.0 109.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 t -61.55 -48.75 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.571 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -62.76 -31.21 72.12 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 5' ' ' ALA . 1.3 tp -60.6 -48.05 83.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.465 -0.772 . . . . 0.0 109.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.07 -43.13 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -0.881 . . . . 0.0 109.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.89 -38.52 91.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.365 -0.835 . . . . 0.0 109.603 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 m -78.19 1.44 21.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.413 -0.804 . . . . 0.0 109.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.06 125.71 39.9 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.261 -0.9 . . . . 0.0 109.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.64 -37.1 85.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.896 . . . . 0.0 109.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.09 125.7 34.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.918 . . . . 0.0 110.084 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -139.88 140.96 36.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.342 -0.849 . . . . 0.0 109.576 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 86.0 p -114.12 161.51 17.67 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -52.91 -36.79 59.98 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 108.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -43.1 75.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.221 -0.924 . . . . 0.0 110.129 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.4 mtp -69.82 -41.46 74.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.923 -1.11 . . . . 0.0 109.762 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.4 m -63.49 -43.88 95.98 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.56 -34.63 76.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.444 -0.785 . . . . 0.0 109.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.34 -40.12 95.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.691 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.61 91.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.118 -0.989 . . . . 0.0 109.559 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -61.43 -45.71 93.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.8 . . . . 0.0 110.459 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.57 -38.0 74.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -63.7 -37.0 85.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.0 109.847 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -58.46 -39.48 80.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.939 -1.101 . . . . 0.0 109.244 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.84 -42.18 98.73 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.437 HG21 HE22 ' A' ' 28' ' ' GLN . 43.3 m -66.52 -46.18 77.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -0.874 . . . . 0.0 109.768 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.09 -47.55 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.426 -0.796 . . . . 0.0 109.686 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.68 -38.74 92.02 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.062 -1.024 . . . . 0.0 109.135 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.3 76.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.33 -0.856 . . . . 0.0 108.841 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.3 t80 -65.42 -48.84 71.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.696 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.7 tttt -64.9 -40.45 95.11 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.061 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.06 -33.77 76.15 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.67 66.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -125.0 8.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.532 -0.73 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.2 -37.71 31.4 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.31 0.18 63.35 Favored Glycine 0 N--CA 1.489 2.211 0 O-C-N 121.297 -1.119 . . . . 0.0 110.563 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.73 -37.92 80.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.884 -1.362 . . . . 0.0 108.893 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.54 -29.09 0.7 Allowed 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.31 -31.52 72.14 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.65 -36.29 82.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.391 -0.818 . . . . 0.0 108.918 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.88 -37.69 66.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.908 . . . . 0.0 108.874 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.47 -40.37 86.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.38 -0.825 . . . . 0.0 109.334 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -129.61 -63.2 0.94 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' ALA . 1.2 t0 72.02 -23.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 72' ' ' SER . 72.9 mttt -90.04 -80.24 0.32 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.108 -0.995 . . . . 0.0 109.656 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.1 p -67.64 -33.02 74.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 69' ' ' ALA . 40.8 tp -68.15 -37.62 81.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -61.1 -45.84 93.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.168 -0.957 . . . . 0.0 109.89 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.775 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.12 -40.15 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.066 -1.021 . . . . 0.0 108.68 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.453 ' CE ' HD11 ' A' ' 22' ' ' ILE . 11.3 ttt -57.88 -36.52 72.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.23 -32.47 71.16 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.49 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.67 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 28.0 m -56.85 -38.11 72.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 74.7 mt -60.23 -40.26 89.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.494 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 25' ' ' TYR . 92.5 mt -86.16 -45.32 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.126 -0.984 . . . . 0.0 111.44 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -74.39 -48.13 29.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 0.0 111.235 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -79.04 99.59 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.906 -1.121 . . . . 0.0 109.515 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.436 -0.79 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.58 -47.5 83.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.967 . . . . 0.0 110.175 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HE2' HD13 ' B' ' 130' ' ' ILE . 51.9 tttp -65.64 -43.2 90.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.104 -0.997 . . . . 0.0 109.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.92 -38.01 89.49 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.98 74.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.612 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.73 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.572 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.64 -43.04 94.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.984 . . . . 0.0 109.702 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 tpt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.181 -0.949 . . . . 0.0 108.815 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.79 -43.93 91.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 45.8 m-20 -62.98 -40.99 99.4 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.087 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.28 -50.07 64.96 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.475 ' OG1' HD11 ' A' ' 131' ' ' ILE . 56.8 m -62.26 -43.64 98.37 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.445 -0.784 . . . . 0.0 108.931 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 83.9 mmm -62.52 -38.34 89.56 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.282 -0.886 . . . . 0.0 109.614 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -63.82 -47.28 81.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.4 tp -67.41 -41.46 84.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.635 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 44.3 t80 -62.36 -41.85 98.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.644 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.0 t-20 -62.23 -39.66 93.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.188 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.173 -0.954 . . . . 0.0 109.928 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -62.58 -45.71 91.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.77 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.963 HD12 HD11 ' B' ' 150' ' ' LEU . 30.5 mt -70.81 -35.41 72.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.239 -0.913 . . . . 0.0 108.556 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.555 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.3 tttp -59.37 -43.45 92.88 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.5 mt-30 -65.14 -36.47 84.35 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.9 tp -58.64 -33.33 69.95 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 66.6 tttt -59.17 -39.07 81.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.71 -0.619 . . . . 0.0 110.135 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.5 m-20 -167.85 -20.43 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.187 -0.946 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.71 156.53 7.46 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.74 141.54 85.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.444 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.6 m-90 -106.1 136.64 45.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 108.913 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.5 p30 -155.21 172.54 18.0 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.963 -1.086 . . . . 0.0 110.401 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.53 HG12 ' NH1' ' A' ' 119' ' ' ARG . 72.5 t -55.55 -39.27 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.0 ttp -56.44 -42.24 77.8 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.901 -1.124 . . . . 0.0 108.423 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.9 tp -62.2 -35.37 78.66 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.37 -0.831 . . . . 0.0 109.036 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.483 ' HE3' HD21 ' B' ' 178' ' ' LEU . 81.4 tttt -57.2 -47.17 81.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.473 -0.767 . . . . 0.0 109.867 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.53 ' NH1' HG12 ' A' ' 115' ' ' VAL . 75.7 mtt85 -67.81 -39.04 84.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.437 -0.789 . . . . 0.0 109.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -60.76 -40.27 91.89 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.308 -0.87 . . . . 0.0 109.982 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -41.04 99.28 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.158 -0.964 . . . . 0.0 109.22 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.863 ' NE1' HD21 ' A' ' 158' ' ' LEU . 48.4 m95 -64.18 -37.72 88.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.11 98.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.4 -0.812 . . . . 0.0 109.899 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.37 -39.63 93.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.295 -0.878 . . . . 0.0 109.69 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.56 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -57.94 -42.16 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -40.88 97.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 110.091 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.86 -40.0 93.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.87 . . . . 0.0 110.41 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.732 ' HB3' HD11 ' A' ' 151' ' ' ILE . 29.3 m-85 -65.25 -42.58 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.008 -1.057 . . . . 0.0 110.329 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -64.42 -31.9 73.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.063 -1.023 . . . . 0.0 109.755 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -69.13 -41.99 76.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.252 -0.905 . . . . 0.0 109.749 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.577 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.4 mt -59.28 -42.64 87.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 110.243 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 147' ' ' LEU . 82.3 mt -68.46 -45.42 72.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 110.134 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.571 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.2 t60 -68.23 -41.9 80.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.921 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 134' ' ' LEU . 81.9 mt -61.12 -31.58 71.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 111.453 -178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -143.33 59.3 1.4 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.69 -1.256 . . . . 0.0 111.266 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -62.19 -38.69 90.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.904 -1.122 . . . . 0.0 109.157 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.66 -28.7 68.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.115 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -91.82 -0.81 57.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.77 -1.206 . . . . 0.0 110.387 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.6 mt -118.13 127.31 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.135 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.2 m -70.6 160.02 33.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.45 -38.72 92.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.7 m -64.97 -44.91 87.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -38.72 92.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.386 -0.821 . . . . 0.0 109.42 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.785 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.64 -39.46 91.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.796 . . . . 0.0 109.412 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.95 -40.62 80.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.348 -0.845 . . . . 0.0 109.953 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.8 m -61.43 -40.52 94.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.186 -0.946 . . . . 0.0 109.415 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 132' ' ' LEU . 85.0 mt -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.297 -0.877 . . . . 0.0 109.585 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.68 -36.67 79.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.436 -0.79 . . . . 0.0 109.453 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 17.8 tttp -61.91 -40.54 95.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 108.987 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.66 -42.34 98.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.877 . . . . 0.0 109.115 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.4 mt -66.32 -42.01 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.07 -38.82 87.56 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.612 -0.68 . . . . 0.0 109.964 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.814 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.5 t80 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.0 108.909 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.98 -40.37 91.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.837 . . . . 0.0 108.753 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -58.92 -43.79 91.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.483 -0.761 . . . . 0.0 109.668 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.64 -50.16 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.89 . . . . 0.0 110.641 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.832 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.68 -36.55 82.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 110.477 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.863 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.3 tp -60.05 -37.35 79.57 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 -41.72 90.41 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -59.41 -38.05 79.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.42 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 158' ' ' LEU . 16.5 mt -60.33 -35.21 75.11 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.01 -30.56 71.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.507 -0.746 . . . . 0.0 109.443 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -81.29 -13.13 58.77 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.17 -0.956 . . . . 0.0 109.245 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.47 80.9 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.75 -28.97 60.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.438 -1.036 . . . . 0.0 109.909 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.31 130.99 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.576 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.569 ' C ' ' H ' ' B' ' 130' ' ' ILE . 73.0 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.532 ' N ' HG22 ' B' ' 128' ' ' ILE . 78.0 m-20 -74.94 20.1 0.13 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.775 HD12 HG22 ' A' ' 78' ' ' VAL . 20.1 tt -66.36 -42.84 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.563 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -70.65 -42.29 71.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.711 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -67.25 -44.16 80.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.681 0.753 . . . . 0.0 109.084 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.779 0.799 . . . . 0.0 109.556 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.1 mtp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.92 0.866 . . . . 0.0 109.736 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.19 -33.64 69.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.216 -0.927 . . . . 0.0 108.959 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.59 -36.43 76.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.162 -0.961 . . . . 0.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.24 -33.24 67.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.58 -30.06 47.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 119.139 -1.025 . . . . 0.0 108.338 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.36 -38.13 73.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -59.37 -35.86 74.69 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.34 84.02 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.93 -38.8 70.77 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.896 -1.355 . . . . 0.0 107.869 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.555 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 79.8 tt0 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.963 HD11 HD12 ' A' ' 105' ' ' LEU . 46.1 tp -55.55 -42.34 74.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 0.0 108.764 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.65 -40.62 92.68 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.3 tm-20 -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.646 -0.659 . . . . 0.0 109.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.67 -50.44 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.276 -0.89 . . . . 0.0 110.45 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.814 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.77 -33.09 74.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 109.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.61 95.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.379 -0.826 . . . . 0.0 109.513 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 89.0 mtp -64.33 -40.06 95.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.005 . . . . 0.0 109.47 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.12 -39.12 88.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.861 . . . . 0.0 109.336 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.6 m-20 171.67 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.496 -0.752 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.15 -35.83 72.1 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.014 -1.054 . . . . 0.0 108.772 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.3 m -85.59 4.86 34.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.72 97.98 0.06 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -120.56 153.01 37.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.587 -0.949 . . . . 0.0 109.13 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.658 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -55.63 -34.01 64.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.246 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.35 -33.7 71.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -75.53 -24.15 56.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.525 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.5 mt -102.23 132.88 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 108.621 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 77.1 p -59.54 68.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.457 -0.777 . . . . 0.0 110.476 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.8 t0 -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.83 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.26 75.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.973 -1.079 . . . . 0.0 111.745 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.64 67.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.667 -1.271 . . . . 0.0 109.699 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.9 mt -62.7 -38.35 90.07 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.756 -0.59 . . . . 0.0 110.363 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.1 m-20 -61.49 -43.13 99.41 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.25 -0.906 . . . . 0.0 110.509 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.103 -0.998 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.518 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.62 -36.97 85.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.228 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 158' ' ' LEU . 19.8 tp -67.39 -35.46 79.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 110.597 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.9 m-20 -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.976 -1.077 . . . . 0.0 108.918 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.48 -43.07 67.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.001 -1.062 . . . . 0.0 108.186 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -63.91 -37.79 88.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.544 -0.722 . . . . 0.0 109.612 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.24 -39.78 73.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.038 -1.039 . . . . 0.0 108.686 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.17 -41.9 97.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.409 ' OD2' ' CE ' ' A' ' 118' ' ' LYS . 81.0 m-20 -93.36 -32.95 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.106 -0.996 . . . . 0.0 110.633 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.3 -1.57 0 O-C-N 121.145 -0.972 . . . . 0.0 109.448 -179.652 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.5 -36.84 79.31 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.85 93.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 109.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -59.64 -43.01 94.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.324 -0.86 . . . . 0.0 109.246 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 53.9 t -61.3 -43.32 96.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.37 -46.06 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 0.0 109.582 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.14 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.336 -0.852 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.2 m -62.03 -38.64 89.44 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.0 109.465 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.03 91.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.2 -0.937 . . . . 0.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -31.15 70.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.181 -0.949 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.98 -42.97 99.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.228 -0.92 . . . . 0.0 109.363 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 23' ' ' ILE . 81.3 m-85 -64.42 -37.42 87.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.388 -0.82 . . . . 0.0 109.727 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.85 -42.14 97.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.059 -1.026 . . . . 0.0 108.725 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -60.83 -30.99 70.43 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.55 -12.08 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.527 -0.733 . . . . 0.0 109.824 -179.539 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.41 5.06 63.76 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.457 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.7 mt -95.98 69.69 2.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.98 -1.306 . . . . 0.0 109.39 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.46 -33.73 87.25 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.742 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.8 mt -57.63 -43.21 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.025 -1.28 . . . . 0.0 109.985 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' CE1' ' A' ' 15' ' ' PHE . 35.3 mm -66.42 -47.75 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.941 -1.099 . . . . 0.0 108.727 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.91 -32.68 80.66 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.688 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.9 t80 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -1.105 . . . . 0.0 109.955 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 41.6 m-85 -67.31 -36.56 81.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 110.271 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.8 -41.6 99.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.04 . . . . 0.0 109.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.2 -39.99 94.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 108.919 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.17 -40.88 94.91 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.425 -0.797 . . . . 0.0 109.231 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.72 ' CE1' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -65.08 -42.34 94.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -63.79 -36.14 82.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.062 -1.024 . . . . 0.0 109.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.7 -46.34 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 110.277 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.1 -31.89 73.14 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.293 -0.88 . . . . 0.0 110.089 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -60.88 -45.57 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.975 . . . . 0.0 109.548 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.39 -46.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.319 -0.863 . . . . 0.0 109.375 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.59 -36.43 83.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.2 p -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -88.2 122.59 31.93 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.451 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.09 -37.46 85.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.887 . . . . 0.0 109.677 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -86.45 125.89 34.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.0 109.986 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -134.56 142.74 47.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.826 . . . . 0.0 109.589 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.468 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.15 159.83 19.64 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -52.95 -34.68 56.79 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.85 -1.156 . . . . 0.0 108.425 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.29 -44.97 67.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.349 -0.844 . . . . 0.0 109.806 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.468 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.5 mtp -69.55 -40.85 76.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.998 -1.063 . . . . 0.0 109.95 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 m -62.47 -43.51 98.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.589 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.24 81.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.326 -0.859 . . . . 0.0 109.773 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.59 -41.12 98.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.319 -0.863 . . . . 0.0 109.652 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.65 87.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.5 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.4 -45.87 92.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 110.419 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.45 -37.93 76.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.673 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.28 -37.22 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.23 -0.919 . . . . 0.0 110.012 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.6 mt -58.66 -39.37 80.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.27 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.325 -0.859 . . . . 0.0 109.358 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.6 m -64.19 -42.84 96.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.367 -0.833 . . . . 0.0 109.928 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.44 -51.35 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 109.488 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.71 -37.86 85.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.76 87.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.0 109.216 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.2 t80 -68.61 -48.88 62.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.439 -0.788 . . . . 0.0 109.718 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.5 tttt -63.32 -39.18 93.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.92 -34.03 76.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.576 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.21 -31.53 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.253 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 63' ' ' ILE . 75.4 mt -123.82 10.39 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.573 -0.705 . . . . 0.0 109.833 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.56 -37.73 61.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.13 65.6 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.41 -38.57 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.064 -1.257 . . . . 0.0 109.06 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.39 -29.36 1.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.02 81.87 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.422 -0.799 . . . . 0.0 109.383 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.02 -43.36 86.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.554 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.64 -39.41 93.65 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.7 t -160.88 97.66 1.17 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.3 p30 -96.26 7.07 47.38 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.232 -0.918 . . . . 0.0 109.598 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.94 -75.73 0.52 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -67.14 -39.48 86.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 111.365 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.405 HD11 HG23 ' A' ' 63' ' ' ILE . 34.3 tp -69.76 -35.44 74.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.508 -1.37 . . . . 0.0 109.881 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.592 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -60.18 -45.26 93.74 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.096 -1.002 . . . . 0.0 109.596 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.1 -42.14 95.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 108.274 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.742 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.8 ttt -58.83 -36.47 74.58 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.49 -32.71 71.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.677 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -56.84 -37.66 71.57 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.1 mt -60.33 -41.22 93.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.555 -0.716 . . . . 0.0 109.647 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.509 HG23 ' CE2' ' A' ' 25' ' ' TYR . 86.8 mt -85.34 -45.34 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.272 -0.893 . . . . 0.0 111.412 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.55 -46.98 44.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 0.0 111.164 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -81.37 100.52 9.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.937 -1.102 . . . . 0.0 109.444 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -37.25 86.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.416 -0.803 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -47.11 84.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.253 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 60.9 tttm -64.96 -41.91 95.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 109.384 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.87 -37.84 88.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 108.918 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -45.58 69.69 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.446 -0.784 . . . . 0.0 109.659 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.87 -47.25 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.151 -0.968 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -63.86 -43.57 95.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.151 -0.968 . . . . 0.0 109.279 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.79 -42.7 99.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 108.635 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.41 -41.47 96.61 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' O ' ' OG ' ' A' ' 99' ' ' SER . 48.0 m-20 -62.74 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 0.0 109.415 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -65.56 -49.58 68.32 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.631 -0.828 . . . . 0.0 108.955 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.8 m -63.12 -45.13 93.43 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.37 -0.831 . . . . 0.0 109.175 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.9 mmm -63.5 -40.07 96.09 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.323 -0.861 . . . . 0.0 109.477 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 24.7 m -63.0 -46.09 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 109.263 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.81 -45.8 84.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.272 -0.893 . . . . 0.0 108.878 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.807 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 34.5 t80 -62.0 -39.99 94.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.615 -0.678 . . . . 0.0 109.793 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -38.06 79.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.463 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.13 -39.51 93.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.695 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.1 mmtt -63.48 -45.72 89.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.807 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 48.5 mt -67.75 -36.64 80.9 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.558 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.4 tttt -60.79 -46.37 90.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.0 mt-30 -64.56 -36.97 85.93 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -59.43 -32.18 69.97 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 18.3 tttt -58.84 -39.86 82.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.765 -0.584 . . . . 0.0 109.976 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.9 m-20 -169.24 -22.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.22 -0.925 . . . . 0.0 110.508 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.77 157.7 3.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.29 140.85 79.42 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.888 2.392 . . . . 0.0 112.664 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.2 m-90 -106.35 137.71 43.83 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.51 172.44 17.16 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.99 -1.069 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.46 -39.18 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.683 -0.636 . . . . 0.0 109.305 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.3 -42.61 77.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.993 -1.067 . . . . 0.0 108.769 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.554 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.5 tp -62.32 -37.19 84.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.242 -0.911 . . . . 0.0 108.883 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HG3' HD11 ' A' ' 158' ' ' LEU . 84.6 tttt -58.88 -47.7 84.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.466 -0.771 . . . . 0.0 109.976 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -67.61 -39.01 84.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 109.611 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 7.0 m -61.71 -39.23 90.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.835 . . . . 0.0 109.79 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.85 -41.98 98.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.112 -0.992 . . . . 0.0 109.347 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.852 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.0 m95 -62.08 -37.89 86.73 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 108.998 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -40.83 92.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.434 -0.791 . . . . 0.0 109.248 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.84 -40.07 94.03 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.446 -0.784 . . . . 0.0 109.65 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.599 HG23 HG23 ' A' ' 151' ' ' ILE . 95.4 mt -58.34 -42.52 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.26 -40.88 97.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.88 -40.83 94.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.297 -0.877 . . . . 0.0 110.433 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.747 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -64.22 -44.83 90.69 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.085 -1.009 . . . . 0.0 110.165 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.36 -36.31 81.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 0.0 109.955 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.528 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -66.09 -42.97 88.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.218 -0.926 . . . . 0.0 109.87 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.552 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.4 mt -59.4 -43.14 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 110.204 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 147' ' ' LEU . 94.0 mt -68.84 -45.26 71.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.114 -0.991 . . . . 0.0 110.261 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -66.27 -46.32 77.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 110.698 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 134' ' ' LEU . 95.4 mt -60.91 -31.5 71.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.282 -0.886 . . . . 0.0 111.635 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -137.29 55.47 1.81 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.813 -1.18 . . . . 0.0 111.269 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -62.22 -38.08 87.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.9 -1.125 . . . . 0.0 109.313 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.14 -28.89 67.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 111.451 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.89 0.78 57.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.731 -1.231 . . . . 0.0 110.515 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.415 HD13 HD23 ' A' ' 132' ' ' LEU . 77.8 mt -117.98 126.75 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.356 -0.84 . . . . 0.0 109.253 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -70.85 160.09 33.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.08 -38.65 91.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.1 m -65.39 -45.29 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -62.98 -39.24 94.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 0.0 109.339 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.761 HG23 HD22 ' A' ' 132' ' ' LEU . 47.2 m -61.3 -39.74 91.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.398 -0.814 . . . . 0.0 109.541 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.84 -39.43 77.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.715 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 m -61.94 -41.04 97.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.891 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -65.88 -40.84 91.96 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.421 -0.8 . . . . 0.0 109.658 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.65 -36.53 78.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.72 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.558 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 94.8 mtt-85 -61.23 -42.33 98.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 108.963 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 128' ' ' PHE . 85.2 mt -66.02 -43.04 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.426 -0.796 . . . . 0.0 108.881 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.6 mmtt -61.06 -40.53 93.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.569 -0.707 . . . . 0.0 109.664 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 33.3 t80 -57.73 -43.45 85.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 1.9 m -64.63 -42.4 95.5 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -58.89 -43.9 91.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.476 -0.765 . . . . 0.0 109.757 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 84.2 mt -69.48 -50.12 53.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.619 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.853 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -66.96 -36.33 81.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.16 -0.963 . . . . 0.0 110.614 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.852 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.7 tp -60.01 -37.05 78.6 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.5 m -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.547 -0.72 . . . . 0.0 109.914 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.5 -38.55 81.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.1 mt -59.92 -34.76 73.64 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.063 -1.023 . . . . 0.0 108.272 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.714 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.92 -30.94 71.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.527 -0.733 . . . . 0.0 109.564 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 53.5 mttm -81.54 -13.42 58.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.164 -0.96 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.25 12.4 80.77 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.58 -29.2 61.24 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.431 -1.041 . . . . 0.0 109.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.5 mm -102.59 129.88 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.962 . . . . 0.0 108.936 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.638 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.588 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.588 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.7 m120 -74.91 19.78 0.14 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -64.81 -39.55 86.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.498 ' N ' HG23 ' B' ' 130' ' ' ILE . 92.4 m-20 -72.98 -45.41 58.1 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.508 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' LYS . . . . . 0.497 ' CD ' ' N ' ' B' ' 132' ' ' LYS . 0.7 OUTLIER -68.4 -40.52 81.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 109.904 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.45 -0.781 . . . . 0.0 110.593 -179.174 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.506 0.67 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.584 HD13 HD12 ' B' ' 144' ' ' ILE . 4.0 mm? -57.01 -33.92 67.64 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.291 -0.881 . . . . 0.0 108.985 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.25 -38.32 79.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 0.0 108.908 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.01 -34.08 71.46 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.262 -0.899 . . . . 0.0 108.582 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.584 HD12 HD13 ' B' ' 141' ' ' LEU . 51.7 mt -68.03 -31.01 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.87 -37.92 69.46 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.12 -36.37 75.07 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.27 80.8 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -55.88 -39.13 71.11 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.79 -1.418 . . . . 0.0 107.922 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.558 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.5 tt0 -61.7 -34.38 75.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.465 -0.772 . . . . 0.0 108.987 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.715 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.3 tt -55.06 -45.1 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 108.789 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.96 -39.78 93.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 109.306 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.542 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 1.8 tm-20 -61.65 -38.91 89.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.494 -0.754 . . . . 0.0 109.922 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 109' ' ' LYS . 34.6 t -64.03 -50.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.298 -0.876 . . . . 0.0 110.366 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.4 mm? -67.29 -33.81 76.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 155' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -63.07 -43.23 99.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.249 -0.907 . . . . 0.0 109.493 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 59.3 mtt -69.12 -38.46 78.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 109.682 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.67 -40.08 90.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.446 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.499 ' N ' ' OD1' ' B' ' 158' ' ' ASN . 2.0 p30 173.54 103.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.472 -0.767 . . . . 0.0 109.257 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 159' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 86.8 m-20 -58.35 -35.77 72.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.22 -0.925 . . . . 0.0 109.11 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.9 p -83.06 2.82 33.2 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.96 0.06 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -122.46 152.63 40.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.519 -0.989 . . . . 0.0 109.205 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.24 -34.41 66.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.444 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.47 -33.78 71.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.442 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -75.59 -23.41 56.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 0.0 109.603 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.3 mt -102.39 131.97 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.751 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.6 m -58.93 70.47 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.425 -0.797 . . . . 0.0 110.407 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.2 t0 -63.13 -36.73 84.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.148 -0.97 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.18 76.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.849 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -42.76 67.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.729 -1.232 . . . . 0.0 109.723 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.473 HD21 ' HE3' ' A' ' 163' ' ' LYS . 96.0 mt -62.79 -38.37 90.4 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.64 -0.663 . . . . 0.0 110.344 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.5 m-20 -61.38 -43.01 99.61 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.0 110.544 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.89 80.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.019 -1.05 . . . . 0.0 109.891 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.42 -36.59 84.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 158' ' ' LEU . 19.4 tp -67.34 -35.1 78.7 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.637 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.916 -1.115 . . . . 0.0 108.983 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.04 71.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.948 -1.095 . . . . 0.0 108.171 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 162' ' ' ALA . 18.0 tp -64.5 -36.46 84.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.598 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.449 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.86 -40.14 69.38 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.924 -1.11 . . . . 0.0 108.729 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 180' ' ' GLN . . . . . 0.447 ' OE1' ' O ' ' B' ' 176' ' ' ASP . 2.6 mp0 -65.19 -28.11 69.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.414 -0.803 . . . . 0.0 109.283 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.19 -53.5 56.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 110.532 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -76.84 -40.15 48.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.299 -1.595 0 O-C-N 121.476 -0.765 . . . . 0.0 109.083 -179.851 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.0 t-20 -60.55 -36.76 79.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.353 -0.842 . . . . 0.0 109.354 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.624 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -60.76 -39.35 88.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.0 109.608 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.1 83.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.93 . . . . 0.0 110.061 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 122' ' ' TRP . 41.5 ttt180 -59.92 -39.66 86.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.141 -0.974 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 4' ' ' ASN . 94.9 t -60.31 -39.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.95 -45.51 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -41.79 82.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 108.867 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -61.25 -38.73 87.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.417 -0.802 . . . . 0.0 108.983 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.9 83.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 108.693 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -60.88 -32.03 71.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.431 -0.793 . . . . 0.0 109.132 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -60.71 -40.61 92.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.39 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 23' ' ' ILE . 70.0 m-85 -63.73 -39.02 93.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.436 -0.79 . . . . 0.0 109.899 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.12 -40.59 94.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.007 -1.058 . . . . 0.0 108.994 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.0 -30.81 70.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.433 -0.792 . . . . 0.0 109.384 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.58 -7.52 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.381 -0.825 . . . . 0.0 109.86 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.62 5.3 63.23 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.499 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 20' ' ' LEU . 70.5 mt -99.56 65.3 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.019 -1.283 . . . . 0.0 109.449 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -31.07 77.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' CE ' ' A' ' 79' ' ' MET . 69.5 mt -57.24 -43.05 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.018 -1.283 . . . . 0.0 109.641 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.616 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.53 -47.11 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.643 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -33.49 83.68 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.9 t80 -59.16 -48.86 80.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -1.051 . . . . 0.0 109.797 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.452 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.0 m-85 -67.3 -35.85 80.3 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.245 -0.909 . . . . 0.0 109.953 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.8 mt -65.09 -41.74 94.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.049 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.45 -39.86 92.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.922 -1.111 . . . . 0.0 108.812 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 29' ' ' LEU . 44.3 tp -64.21 -38.61 91.66 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.775 ' CE1' HD11 ' A' ' 34' ' ' LEU . 55.6 t80 -63.71 -44.12 94.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.668 -0.645 . . . . 0.0 110.13 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.69 88.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.2 t -61.51 -48.57 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.058 -1.026 . . . . 0.0 110.311 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.09 -32.42 73.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.611 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.775 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.56 -46.2 90.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.21 -45.93 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.661 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.0 mt -63.29 -36.75 84.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.365 -0.835 . . . . 0.0 109.699 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -67.92 -14.52 63.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -89.72 124.23 34.43 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.503 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -35.06 78.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.92 . . . . 0.0 109.937 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -82.87 125.72 31.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.009 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -139.65 141.12 37.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.286 -0.884 . . . . 0.0 109.655 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.33 162.6 16.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -53.59 -35.21 60.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.882 -1.136 . . . . 0.0 108.618 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.24 -45.23 66.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 110.004 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -69.41 -40.7 77.15 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.006 -1.059 . . . . 0.0 109.887 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.5 m -62.38 -43.1 99.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.38 74.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.36 -40.55 96.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.761 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.96 88.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 109.569 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -60.8 -45.76 93.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 110.488 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.27 -38.11 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 109.783 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 52' ' ' LEU . 95.7 mt -64.59 -37.01 86.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.41 -38.74 78.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.927 -1.108 . . . . 0.0 109.332 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.224 -0.922 . . . . 0.0 109.303 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.2 m -65.9 -46.79 77.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 109.711 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mt -59.45 -48.38 87.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.64 -38.75 92.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.038 -1.039 . . . . 0.0 109.112 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.12 -41.57 77.19 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.297 -0.877 . . . . 0.0 108.931 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.9 t80 -65.53 -48.78 71.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.426 -0.796 . . . . 0.0 109.729 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 64' ' ' GLY . 63.3 tttt -65.39 -42.33 92.76 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.291 -0.881 . . . . 0.0 109.132 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -63.17 -33.67 75.97 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -58.45 -31.06 67.42 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 63' ' ' ILE . 68.8 mt -122.71 8.95 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.601 -0.687 . . . . 0.0 109.705 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.4 -38.18 61.87 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.51 4.37 62.34 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.225 -1.162 . . . . 0.0 110.431 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.69 -37.48 81.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.912 -1.346 . . . . 0.0 108.978 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -29.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.65 -29.99 71.04 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.16 81.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.437 -0.79 . . . . 0.0 109.259 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.76 -42.79 84.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -64.23 -39.37 93.83 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -161.57 97.49 1.09 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -95.64 4.7 52.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -94.7 -75.32 0.52 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.193 -0.942 . . . . 0.0 110.206 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.1 p -67.01 -38.15 85.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.791 . . . . 0.0 111.405 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 63' ' ' ILE . 30.3 tp -68.54 -35.39 77.36 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.606 -1.309 . . . . 0.0 109.89 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.7 m170 -59.79 -45.11 93.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.993 . . . . 0.0 109.443 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.01 -42.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.638 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.2 ttt -58.74 -36.42 74.3 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.36 -32.71 71.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.594 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -56.79 -37.23 70.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.7 mt -60.14 -40.7 90.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 0.0 109.565 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.5 mt -86.22 -45.56 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 111.004 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -72.71 -47.97 42.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 111.129 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.62 101.07 9.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.876 -1.14 . . . . 0.0 109.612 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.53 -35.75 81.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.402 -0.811 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.91 -47.93 82.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 0.0 110.532 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.631 ' HZ3' HD13 ' B' ' 130' ' ' ILE . 66.7 tttt -67.53 -42.44 82.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.11 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.14 -37.62 87.96 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -46.14 69.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.624 HG22 ' ND2' ' A' ' 95' ' ' ASN . 74.3 mt -63.0 -43.11 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.886 . . . . 0.0 109.428 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.88 -44.93 94.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.26 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 tpt -64.26 -44.61 91.23 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.226 -0.921 . . . . 0.0 108.673 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.47 -43.58 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.624 ' ND2' HG22 ' A' ' 91' ' ' ILE . 43.5 m-20 -61.6 -41.79 97.94 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.378 -0.826 . . . . 0.0 109.0 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.49 -49.24 67.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 108.9 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 131' ' ' ILE . 39.8 m -61.73 -43.71 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.461 -0.775 . . . . 0.0 109.025 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.2 -37.81 86.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.398 -0.814 . . . . 0.0 109.55 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.1 p -64.66 -44.11 91.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -0.916 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 40.5 tp -67.68 -42.22 82.45 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HD11 ' B' ' 150' ' ' LEU . 41.1 t80 -62.21 -43.31 99.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.41 HD21 ' HB3' ' B' ' 149' ' ' GLU . 56.1 t-20 -63.16 -40.5 97.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 109.709 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.68 -41.09 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.782 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.489 ' HZ2' HD12 ' A' ' 117' ' ' LEU . 12.3 mmtt -63.8 -45.45 89.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.0 109.951 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.53 HD12 HD21 ' B' ' 150' ' ' LEU . 35.6 mt -67.16 -35.77 80.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.222 -0.924 . . . . 0.0 108.736 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.57 -45.14 92.73 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.4 mt-30 -63.89 -36.63 84.58 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.844 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.3 tp -60.15 -33.19 71.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 49.7 tttt -59.13 -38.94 80.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.628 -0.67 . . . . 0.0 110.32 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -167.57 -22.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.68 155.85 3.85 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.29 141.72 88.68 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.816 2.344 . . . . 0.0 112.377 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.4 m-90 -105.85 136.05 46.18 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -153.04 173.47 15.4 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.952 -1.092 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.36 -39.68 53.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.7 ttm -57.22 -42.58 81.63 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.999 -1.063 . . . . 0.0 108.774 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 45.6 tp -62.37 -37.14 84.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.332 -0.855 . . . . 0.0 109.069 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.4 tttt -57.35 -47.03 82.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.498 -0.751 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -66.73 -39.64 88.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.574 -0.703 . . . . 0.0 109.77 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -58.49 -40.28 82.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 110.356 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.34 -41.86 98.9 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.985 -1.072 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.87 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.7 m95 -62.9 -38.19 89.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.323 -0.861 . . . . 0.0 109.027 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -41.31 93.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.491 -0.756 . . . . 0.0 109.617 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.479 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 80.5 m -62.53 -40.36 96.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 151' ' ' ILE . 96.7 mt -58.69 -42.42 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.932 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.54 -41.06 93.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.97 . . . . 0.0 109.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.87 -40.57 97.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.89 . . . . 0.0 110.166 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.1 m-85 -64.46 -43.87 92.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.183 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.4 m -62.22 -36.64 82.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.155 -0.965 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.572 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.12 -40.54 90.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 0.0 109.836 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.489 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.7 mt -59.38 -43.06 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.141 -0.974 . . . . 0.0 110.388 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 147' ' ' LEU . 86.1 mt -67.57 -45.27 76.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.952 -1.092 . . . . 0.0 110.201 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.586 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.2 t60 -67.3 -42.81 83.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.926 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.572 HD12 ' SG ' ' A' ' 130' ' ' CYS . 86.6 mt -62.77 -32.2 73.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.285 -0.884 . . . . 0.0 112.021 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -142.32 60.14 1.45 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.635 -178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.84 -38.17 89.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.115 . . . . 0.0 109.083 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -27.67 66.88 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.57 -0.706 . . . . 0.0 111.299 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.55 0.72 57.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.815 -1.178 . . . . 0.0 110.267 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.5 mt -117.79 130.12 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.028 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -70.43 159.87 33.4 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.193 -0.942 . . . . 0.0 109.264 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.2 -38.54 91.41 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.229 -0.919 . . . . 0.0 109.394 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.3 m -66.04 -43.73 86.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.405 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.0 t -62.12 -39.05 91.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.623 HG23 HD22 ' A' ' 132' ' ' LEU . 56.0 m -60.58 -41.23 94.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.526 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.0 m -61.79 -40.54 95.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.256 -0.902 . . . . 0.0 109.536 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.79 HD12 HD21 ' A' ' 132' ' ' LEU . 87.5 mt -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.356 -0.84 . . . . 0.0 109.639 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.83 -36.7 79.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.476 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 16.3 tttp -61.98 -42.13 98.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.942 . . . . 0.0 109.036 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -62.41 -42.21 99.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.219 -0.925 . . . . 0.0 109.034 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.5 mt -65.25 -41.98 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.6 mmtt -60.87 -37.85 83.56 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.745 -0.597 . . . . 0.0 109.922 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.76 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -58.07 -43.69 87.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 109.137 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.97 -41.09 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.924 . . . . 0.0 108.829 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -58.96 -43.97 91.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.71 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.51 -50.04 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 110.614 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -66.57 -36.46 82.69 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.21 -0.931 . . . . 0.0 110.572 -179.332 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.87 HD21 ' NE1' ' A' ' 122' ' ' TRP . 36.0 tp -60.02 -37.61 80.28 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 108.407 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 80.1 p -67.21 -37.52 83.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.408 -0.807 . . . . 0.0 109.739 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.03 -38.75 87.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.915 . . . . 0.0 109.266 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.06 -34.99 74.17 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.748 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.26 -30.99 72.03 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.495 -0.753 . . . . 0.0 109.384 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' B' ' 171' ' ' LEU . 50.5 mttm -81.73 -13.33 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.177 -0.952 . . . . 0.0 109.195 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.8 80.64 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -74.78 -29.26 61.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.582 -0.952 . . . . 0.0 109.976 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.8 mm -102.65 130.6 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.155 -0.966 . . . . 0.0 109.009 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.551 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.641 HG22 ' OD1' ' B' ' 129' ' ' ASN . 79.1 mt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.641 ' OD1' HG22 ' B' ' 128' ' ' ILE . 24.2 m-20 -75.54 19.41 0.19 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.631 HD13 ' HZ3' ' A' ' 88' ' ' LYS . 20.3 tt -65.94 -41.03 89.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.5 m-20 -67.97 -41.21 82.73 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.304 -0.959 . . . . 0.0 109.095 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -70.05 -46.11 65.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.653 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.69 0.757 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.672 HD13 HD12 ' B' ' 144' ' ' ILE . 3.9 mm? -58.94 -33.02 70.11 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.24 -37.06 74.14 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.744 ' O ' HD13 ' B' ' 143' ' ' LEU . 1.1 tm? -61.24 -37.52 83.36 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.672 HD12 HD13 ' B' ' 141' ' ' LEU . 55.3 mt -68.77 -29.77 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.978 . . . . 0.0 108.952 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.29 -36.8 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.54 -36.28 75.84 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.64 83.24 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.06 -37.54 71.96 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.897 -1.355 . . . . 0.0 107.801 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.41 ' HB3' HD21 ' A' ' 102' ' ' ASN . 82.9 tt0 -58.44 -34.69 71.11 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.692 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.2 tt -55.44 -45.17 76.85 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -39.7 84.79 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.465 -0.772 . . . . 0.0 109.328 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.541 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.84 -38.74 89.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.783 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 23.1 t -65.26 -50.78 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 0.0 110.364 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.3 mm? -66.53 -33.04 74.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.198 -0.939 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.11 98.3 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.33 -0.857 . . . . 0.0 109.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 43.8 mtt -66.55 -38.81 87.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.038 -1.039 . . . . 0.0 109.531 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 20.2 t-20 -60.8 -39.3 88.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.24 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.0 m-20 170.41 104.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.534 -0.729 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.34 -35.75 72.38 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.021 -1.05 . . . . 0.0 108.715 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.6 m -84.9 4.46 33.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.66 98.2 0.07 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -118.24 152.2 36.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.537 -0.978 . . . . 0.0 109.237 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.615 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.26 -33.12 62.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 0.0 109.165 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.03 -33.0 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.27 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -75.44 -24.73 57.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.5 mt -103.13 131.51 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.618 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 21.8 t -58.09 72.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.451 -0.78 . . . . 0.0 110.504 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.8 t0 -64.36 -36.87 85.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.52 -49.14 74.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.034 -1.041 . . . . 0.0 111.862 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -42.88 67.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.71 -1.244 . . . . 0.0 109.723 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.505 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.3 mt -62.63 -38.7 91.25 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.638 -0.664 . . . . 0.0 110.491 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.4 m-20 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.132 -0.98 . . . . 0.0 110.153 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.65 82.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 109.793 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.49 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.4 mt-10 -66.42 -37.62 85.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.249 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 158' ' ' LEU . 19.5 tp -67.18 -35.82 80.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.045 -1.035 . . . . 0.0 110.513 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.7 m-20 -62.07 -38.81 90.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.962 -1.086 . . . . 0.0 108.875 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.97 66.83 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 162' ' ' ALA . 16.9 tp -65.55 -38.57 89.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.554 -0.716 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.552 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.93 -41.28 77.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.034 -1.041 . . . . 0.0 109.389 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.28 -36.62 80.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.42 -44.95 81.53 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 28.5 m-20 -76.26 -36.17 58.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.9 . . . . 0.0 110.364 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.301 -1.532 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 -179.262 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 8' ' ' VAL . 48.9 t-20 -60.08 -38.07 81.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.159 -0.963 . . . . 0.0 109.387 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.59 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.28 -39.61 93.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.356 -0.84 . . . . 0.0 109.373 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.78 96.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.966 . . . . 0.0 109.74 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 122' ' ' TRP . 50.6 ttt180 -59.71 -42.38 92.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.573 HG11 ' HD2' ' A' ' 30' ' ' TYR . 93.6 t -61.1 -39.98 84.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.02 -47.65 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 0.0 109.186 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.06 81.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.5 m -61.79 -38.66 88.9 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.019 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.37 -32.68 72.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.434 -0.791 . . . . 0.0 109.53 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.9 -41.78 96.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 109.626 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.13 -39.22 93.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.266 -0.896 . . . . 0.0 109.987 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.18 -39.34 89.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.921 -1.112 . . . . 0.0 109.083 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.78 -33.19 73.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.375 -0.828 . . . . 0.0 110.068 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.05 0.1 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.072 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.55 63.47 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -98.63 45.51 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.971 -1.311 . . . . 0.0 109.095 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.16 -34.24 52.85 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.719 HD11 ' CE ' ' A' ' 79' ' ' MET . 71.0 mt -57.59 -42.87 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.294 . . . . 0.0 109.173 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.29 -48.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.064 -1.023 . . . . 0.0 108.432 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.72 80.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.9 t80 -58.72 -47.69 83.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.334 -1.098 . . . . 0.0 109.637 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.3 m-85 -67.12 -34.93 78.66 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.226 -0.921 . . . . 0.0 109.622 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.66 -41.0 96.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 0.0 109.964 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.483 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -60.51 -39.75 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.001 -1.062 . . . . 0.0 108.793 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.84 -38.8 92.44 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.768 ' CE1' HD11 ' A' ' 34' ' ' LEU . 46.0 t80 -64.68 -43.07 94.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.672 -0.642 . . . . 0.0 110.292 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.16 86.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 110.164 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.89 -47.32 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.059 -1.026 . . . . 0.0 110.343 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.33 -32.37 73.95 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.931 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.14 -46.3 91.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.975 . . . . 0.0 109.725 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.39 -46.02 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.276 -0.89 . . . . 0.0 109.366 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.99 -37.08 86.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.399 -0.813 . . . . 0.0 109.678 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.3 p -68.17 -14.09 62.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.85 123.01 32.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.31 -36.89 84.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -84.76 125.79 32.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.252 -0.905 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -138.32 143.17 39.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 49.1 m -114.14 158.99 20.56 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -52.93 -34.66 56.36 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.8 -1.187 . . . . 0.0 108.59 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.26 -42.33 72.29 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.27 -0.894 . . . . 0.0 109.899 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -70.21 -40.56 74.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.979 -1.075 . . . . 0.0 109.772 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -61.56 -42.48 98.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.12 76.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -0.84 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.29 -40.55 96.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.14 -0.975 . . . . 0.0 109.668 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.92 89.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.47 -45.66 92.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.444 -0.785 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.58 -38.29 74.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -64.02 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.76 -39.5 81.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.061 -1.024 . . . . 0.0 109.235 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.36 -43.58 98.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 HE22 ' A' ' 28' ' ' GLN . 57.0 m -66.94 -46.31 75.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.791 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.4 mt -61.31 -48.56 88.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.577 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.39 -37.98 89.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.107 -0.995 . . . . 0.0 108.95 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.69 76.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.2 t80 -65.24 -48.73 72.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.443 -0.786 . . . . 0.0 109.458 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.8 tttt -64.81 -41.19 95.98 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.295 -0.878 . . . . 0.0 109.042 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -63.08 -33.75 76.11 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.33 66.39 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 63' ' ' ILE . 64.2 mt -123.96 5.61 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.436 -0.79 . . . . 0.0 110.008 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.89 -37.35 21.77 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.09 4.42 63.04 Favored Glycine 0 N--CA 1.49 2.249 0 O-C-N 121.153 -1.204 . . . . 0.0 110.446 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -35.98 80.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.722 -1.458 . . . . 0.0 108.733 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -141.48 -29.67 0.62 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.56 -30.99 71.72 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.56 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.13 -42.12 99.44 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.383 -0.823 . . . . 0.0 109.218 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.97 -39.08 11.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.165 -0.959 . . . . 0.0 108.72 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.12 -39.31 89.52 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.174 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 3.5 t -133.43 -61.67 0.81 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.451 -0.78 . . . . 0.0 109.647 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ALA . 61.0 t0 61.95 -13.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.671 -0.643 . . . . 0.0 109.959 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 87.6 mttt -94.48 -79.69 0.42 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.965 -1.084 . . . . 0.0 109.001 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.5 p -68.29 -35.56 78.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 110.29 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 63' ' ' ILE . 41.6 tp -67.92 -37.4 81.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.663 -1.273 . . . . 0.0 109.769 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.35 -44.74 95.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.0 109.346 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.88 -43.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.29 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.719 ' CE ' HD11 ' A' ' 22' ' ' ILE . 10.9 ttt -58.81 -38.54 78.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.689 ' ND2' ' NE2' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -60.75 -32.27 71.58 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.668 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 85' ' ' ASP . 15.6 m -57.37 -36.92 71.84 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.619 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -59.44 -40.82 88.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.444 HG23 ' CE2' ' A' ' 25' ' ' TYR . 95.9 mt -80.27 -44.59 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.689 ' NE2' ' ND2' ' A' ' 80' ' ' ASN . 85.9 m-70 -70.05 -51.36 32.69 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.213 -0.929 . . . . 0.0 111.314 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' CG2' ' A' ' 81' ' ' THR . 83.7 m-20 -77.85 100.24 6.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.968 -1.083 . . . . 0.0 110.348 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.15 -37.26 86.83 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.513 -0.742 . . . . 0.0 109.533 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.11 -47.29 77.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.128 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 76.0 tttt -65.03 -41.27 95.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.013 -1.054 . . . . 0.0 108.952 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.51 -37.58 87.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -46.44 67.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.474 -0.766 . . . . 0.0 109.652 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.435 HG22 ' ND2' ' A' ' 95' ' ' ASN . 86.5 mt -60.12 -47.14 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.201 -0.937 . . . . 0.0 109.497 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 109.269 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.2 tpt -62.68 -43.15 99.55 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.89 -44.28 90.14 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' B' ' 143' ' ' LEU . 87.5 m-20 -62.99 -41.51 99.59 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.428 -0.795 . . . . 0.0 108.93 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.47 -49.78 67.78 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.569 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.4 m -63.33 -43.86 96.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.411 -0.806 . . . . 0.0 109.098 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.4 mmm -62.77 -37.12 85.41 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.315 -0.865 . . . . 0.0 109.735 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.2 p -62.76 -45.27 93.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.237 -0.914 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 42.4 tp -67.45 -41.12 85.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 108.697 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.814 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 42.5 t80 -61.1 -41.71 97.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.283 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.78 -40.4 97.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.0 109.902 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.77 -40.22 94.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.729 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 11.7 mmtt -63.38 -45.52 90.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 60.4 mt -68.42 -35.27 77.4 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.317 -0.864 . . . . 0.0 108.713 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 28.7 tttp -59.8 -43.95 94.22 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.63 -36.8 83.95 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.2 tp -60.33 -32.01 70.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.635 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 16.2 tttt -58.83 -41.0 85.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.5 -0.75 . . . . 0.0 110.145 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 34.9 m-20 -170.85 -23.67 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.98 157.54 1.78 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 142.16 97.07 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.834 2.356 . . . . 0.0 112.566 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.44 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 5.9 m-90 -105.74 135.05 47.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.432 -0.792 . . . . 0.0 108.868 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -152.07 175.18 12.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.955 -1.091 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.32 -40.47 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -58.14 -38.73 77.11 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.907 -1.121 . . . . 0.0 108.598 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 117' ' ' LEU . 27.6 tp -61.55 -40.19 93.81 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 158' ' ' LEU . 83.5 tttt -62.42 -48.86 77.85 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.582 0.706 . . . . 0.0 109.47 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -69.02 -40.46 78.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.532 -0.73 . . . . 0.0 109.697 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 20.3 t -59.83 -40.01 87.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 0.0 109.711 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.277 -0.889 . . . . 0.0 109.422 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.857 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.5 m95 -61.17 -37.05 81.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.903 . . . . 0.0 109.253 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -42.88 92.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.486 -0.758 . . . . 0.0 109.86 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 31.0 m -62.19 -39.37 92.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.255 -0.903 . . . . 0.0 109.866 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 92.7 mt -58.1 -42.18 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.171 -0.956 . . . . 0.0 110.044 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.62 -40.92 96.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.13 -0.981 . . . . 0.0 109.804 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.33 -39.14 93.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 0.0 110.272 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.7 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.7 m-85 -64.58 -43.11 94.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.506 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -65.21 -31.93 73.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.046 . . . . 0.0 110.062 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.16 -41.21 77.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.131 -0.981 . . . . 0.0 109.801 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.569 HD11 ' OG1' ' A' ' 97' ' ' THR . 99.0 mt -59.38 -43.94 91.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 110.321 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.866 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -69.67 -45.48 68.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.934 -1.104 . . . . 0.0 110.147 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 7.2 t60 -66.99 -45.35 77.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.363 -0.836 . . . . 0.0 111.065 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 130' ' ' CYS . 92.3 mt -62.46 -30.62 71.38 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 111.456 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -138.41 56.48 1.72 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.791 -1.193 . . . . 0.0 111.287 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 132' ' ' LEU . 29.2 mtmm -62.27 -38.56 89.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.875 -1.141 . . . . 0.0 109.317 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -67.95 -28.54 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.496 -0.753 . . . . 0.0 111.436 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -91.93 0.23 57.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.681 -1.262 . . . . 0.0 110.6 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.8 mt -117.84 126.72 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.286 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 160.09 33.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.2 -38.26 90.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.418 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 49.9 m -64.79 -45.37 86.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.418 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -63.35 -38.77 92.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.83 . . . . 0.0 109.39 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.716 HG23 HD22 ' A' ' 132' ' ' LEU . 45.5 m -61.63 -39.5 91.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.775 . . . . 0.0 109.449 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.72 -41.18 81.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.38 -0.825 . . . . 0.0 109.763 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.74 -40.82 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.939 . . . . 0.0 109.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.866 HD12 HD21 ' A' ' 132' ' ' LEU . 84.3 mt -65.83 -41.26 92.03 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.379 -0.825 . . . . 0.0 109.656 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.13 -36.9 80.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.364 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.15 -40.24 95.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 108.956 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -61.32 -42.14 98.17 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.286 -0.884 . . . . 0.0 109.05 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.9 mt -66.61 -43.07 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 108.813 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.1 mmtt -60.83 -40.1 91.52 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 109.894 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.73 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 32.5 t80 -57.78 -43.5 85.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 8.3 m -65.99 -42.17 90.12 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.47 -44.01 89.14 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.336 -0.853 . . . . 0.0 109.689 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.63 -50.42 50.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 110.479 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.857 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.8 -38.6 82.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.5 t -66.24 -42.66 88.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 109.4 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -61.23 -38.29 86.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.573 -0.704 . . . . 0.0 109.632 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.3 mt -63.72 -42.8 97.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.241 -0.912 . . . . 0.0 109.816 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.599 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.13 -24.48 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.855 . . . . 0.0 109.793 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -83.74 -3.67 58.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.761 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.61 12.04 84.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.01 -29.06 60.75 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.188 -1.184 . . . . 0.0 109.931 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.545 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.2 mm -107.27 134.21 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.169 -0.957 . . . . 0.0 109.273 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.563 ' C ' ' H ' ' B' ' 130' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.519 ' N ' HG22 ' B' ' 128' ' ' ILE . 77.7 m-20 -74.69 20.26 0.13 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 21.0 tt -65.39 -42.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.586 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -71.33 -42.4 68.62 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.364 -0.934 . . . . 0.0 108.816 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -66.72 -44.94 80.26 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.693 0.759 . . . . 0.0 109.074 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.741 0.782 . . . . 0.0 109.425 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.435 ' HB3' HD22 ' A' ' 95' ' ' ASN . 68.7 mtm . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -55.98 -35.92 67.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.127 -0.983 . . . . 0.0 109.177 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.52 -36.49 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 0.0 108.339 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.784 ' O ' HD13 ' B' ' 143' ' ' LEU . 2.7 tm? -55.9 -35.45 66.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 141' ' ' LEU . 66.5 mt -67.52 -29.58 45.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.041 -1.037 . . . . 0.0 108.542 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.8 -38.75 70.37 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.25 -36.42 75.45 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.14 79.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -55.93 -39.18 71.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.035 -1.273 . . . . 0.0 107.879 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.3 tt0 -59.63 -34.16 72.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.698 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.6 tt -54.84 -45.2 74.46 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.02 -41.22 91.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.295 -0.878 . . . . 0.0 108.951 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -61.66 -37.64 84.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.709 -0.619 . . . . 0.0 109.695 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.466 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 40.5 t -65.06 -50.49 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 110.285 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.73 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.9 mm? -66.67 -33.47 75.72 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.109 -0.994 . . . . 0.0 109.281 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.34 94.36 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.371 -0.831 . . . . 0.0 109.41 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.635 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.3 mtp -65.79 -38.1 88.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 109.545 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.7 -39.17 87.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.97 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.41 -35.27 71.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.15 -0.969 . . . . 0.0 109.144 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.8 p -82.2 2.25 32.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.25 0.07 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -119.64 153.0 36.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.539 -0.977 . . . . 0.0 109.3 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.17 -34.21 65.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.37 -33.51 71.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -75.46 -22.4 57.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.585 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.4 mt -102.58 135.02 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.257 -0.902 . . . . 0.0 108.791 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.1 p -60.12 68.59 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.399 -0.813 . . . . 0.0 110.217 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.3 t0 -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 110.839 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.03 -48.89 76.8 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.971 -1.08 . . . . 0.0 111.287 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -43.05 67.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.901 -1.124 . . . . 0.0 109.784 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.9 -38.08 89.54 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.561 -0.712 . . . . 0.0 110.265 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.7 m-20 -60.57 -43.35 97.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.0 110.476 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.22 81.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 0.0 109.81 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -64.89 -36.72 85.28 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 110.144 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 21.1 tp -66.36 -35.79 81.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.959 -1.088 . . . . 0.0 110.613 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.8 m-20 -61.41 -37.6 84.07 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.501 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.05 73.69 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.599 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.2 mt -66.29 -35.43 80.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.842 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.94 -41.64 71.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.903 -1.123 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -61.86 -34.24 75.64 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.548 -0.72 . . . . 0.0 109.135 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.62 -40.85 96.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 110.785 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -93.63 -18.21 22.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.06 -1.025 . . . . 0.0 110.789 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.299 -1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.269 -179.656 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.42 -36.81 79.05 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.76 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.21 -39.56 93.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.42 97.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.96 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -59.78 -44.91 93.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 0.0 109.102 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 ' CE2' ' A' ' 30' ' ' TYR . 83.7 t -61.39 -38.94 81.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.2 t -58.5 -45.25 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.175 -0.953 . . . . 0.0 109.102 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.95 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 108.839 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.8 m -62.65 -38.59 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.262 -0.899 . . . . 0.0 108.799 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -60.87 -31.81 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.436 -0.79 . . . . 0.0 109.184 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 0.0 109.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -63.99 -37.22 86.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.343 -0.848 . . . . 0.0 109.768 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.0 -42.23 98.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.092 -1.005 . . . . 0.0 108.676 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -60.98 -30.26 70.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.451 -0.781 . . . . 0.0 108.959 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.29 -12.12 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.88 64.17 Favored Glycine 0 N--CA 1.493 2.464 0 C-N-CA 119.903 -1.141 . . . . 0.0 110.498 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' H ' HG12 ' A' ' 18' ' ' VAL . 74.3 mt -94.38 62.11 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.953 -1.322 . . . . 0.0 109.397 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.32 71.24 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.48 -43.81 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -1.212 . . . . 0.0 109.494 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.91 -48.04 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.114 -0.992 . . . . 0.0 108.762 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.67 -32.3 78.19 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.036 -1.625 . . . . 0.0 109.036 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.642 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.1 t80 -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.425 -1.044 . . . . 0.0 109.707 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.9 m-85 -67.37 -35.93 80.32 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.975 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.22 -40.88 97.6 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.042 -1.036 . . . . 0.0 109.762 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.561 HE22 HG21 ' A' ' 55' ' ' THR . 95.9 mt-30 -61.78 -39.22 90.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.07 -38.11 89.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.65 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 29.8 t80 -61.95 -47.04 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 109.944 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.15 82.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -0.901 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.46 -47.99 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 110.869 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 95.5 mt-10 -64.63 -32.3 73.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.136 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 mp -62.27 -44.63 96.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.078 -1.014 . . . . 0.0 109.775 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 81.0 mt -62.98 -47.19 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.245 -0.909 . . . . 0.0 109.512 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.0 -38.16 87.77 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.335 -0.853 . . . . 0.0 109.677 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -78.09 1.62 20.56 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.475 -0.765 . . . . 0.0 109.305 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.14 126.05 36.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.56 -36.62 83.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 0.0 109.702 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -98.19 125.85 43.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -133.33 142.25 48.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.11 159.53 19.93 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -52.25 -36.65 53.08 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.935 -1.103 . . . . 0.0 108.555 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.04 -41.73 77.27 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.316 -0.865 . . . . 0.0 110.061 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.474 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.0 mtp -70.97 -41.97 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.995 -1.066 . . . . 0.0 109.849 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -63.07 -43.6 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 0.0 109.549 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.2 79.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.431 -0.793 . . . . 0.0 109.786 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.32 -40.2 95.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.914 . . . . 0.0 109.729 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.509 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -66.21 -41.38 90.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.508 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.38 -45.59 93.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.795 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -38.18 74.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.82 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.9 mt -64.47 -37.68 88.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.66 -38.77 78.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.191 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.44 -43.77 98.01 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.27 -0.894 . . . . 0.0 109.333 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -68.27 -48.04 66.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.94 . . . . 0.0 109.674 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.0 mt -59.77 -47.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.73 80.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.281 -0.887 . . . . 0.0 108.956 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.642 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.2 t80 -64.85 -48.7 73.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.821 . . . . 0.0 109.374 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.8 tttt -64.94 -39.93 94.25 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.411 -0.806 . . . . 0.0 109.183 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -63.04 -33.76 76.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.74 -31.06 67.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.701 HG22 ' O ' ' A' ' 63' ' ' ILE . 69.3 mt -124.26 9.6 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.826 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.06 -37.51 45.79 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.14 64.93 Favored Glycine 0 N--CA 1.489 2.169 0 O-C-N 121.221 -1.164 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.81 -38.14 77.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.901 -1.352 . . . . 0.0 108.893 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.2 -29.58 0.89 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.49 -31.36 72.49 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.26 -42.93 99.77 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.226 -0.921 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.91 -38.81 23.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.189 -0.944 . . . . 0.0 108.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.69 -39.58 91.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.335 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 4.4 t -130.16 -60.64 1.01 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.923 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 69' ' ' ALA . 60.3 t0 62.7 -13.59 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.608 -0.683 . . . . 0.0 109.801 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 29.4 mttt -95.67 -79.55 0.44 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.019 -1.05 . . . . 0.0 109.22 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -67.92 -36.39 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.345 -0.847 . . . . 0.0 110.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.55 HD11 HG23 ' A' ' 63' ' ' ILE . 34.4 tp -65.12 -35.47 81.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.66 -1.275 . . . . 0.0 109.185 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.3 t60 -60.29 -45.05 94.7 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.318 -0.864 . . . . 0.0 109.398 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.2 -42.89 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.445 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.472 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.7 ttt -58.25 -36.8 73.75 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.48 -32.19 71.17 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.408 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.591 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 21.1 m -57.17 -37.81 72.66 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 77.7 mt -60.36 -40.53 91.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.498 -0.751 . . . . 0.0 109.561 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.3 mt -86.16 -45.07 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.292 -0.88 . . . . 0.0 111.57 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -76.23 -48.02 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 111.314 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -79.51 98.9 7.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.25 -36.45 84.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.435 -0.791 . . . . 0.0 109.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.97 -47.16 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.0 110.279 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -65.1 -42.06 94.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 109.164 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.55 -38.06 89.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -46.71 78.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.504 -0.748 . . . . 0.0 109.864 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.57 -47.1 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.513 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.54 -41.53 92.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 109.196 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 tpt -62.32 -41.24 98.39 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.17 -42.15 98.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.58 HD22 ' HB3' ' B' ' 143' ' ' LEU . 15.7 t-20 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.242 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.85 -50.03 72.55 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.048 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.812 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.1 m -64.37 -45.25 88.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.349 -0.844 . . . . 0.0 108.851 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.8 mmm -63.39 -38.18 90.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.345 -0.847 . . . . 0.0 109.703 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -61.37 -47.06 87.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.5 -44.34 82.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 108.488 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.94 -41.39 96.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.693 -0.63 . . . . 0.0 110.057 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.446 ' HA ' HD23 ' B' ' 150' ' ' LEU . 41.4 m-20 -62.8 -37.52 87.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 110.387 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.67 -39.08 93.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.018 . . . . 0.0 110.327 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HB3' HD21 ' A' ' 121' ' ' LEU . 25.8 mmtt -62.57 -45.29 93.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 109.957 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.952 HD12 HD21 ' B' ' 150' ' ' LEU . 21.6 mt -67.8 -35.98 79.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.493 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -59.73 -43.5 94.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.544 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.1 mt-30 -65.61 -36.89 85.03 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -59.95 -33.9 72.54 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.704 ' HD2' HG13 ' B' ' 153' ' ' VAL . 62.1 tttt -59.42 -45.25 92.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.688 -0.632 . . . . 0.0 110.219 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 68.6 m-20 -160.84 -2.51 0.06 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.18 -0.95 . . . . 0.0 111.097 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -72.97 157.84 52.68 Favored Glycine 0 N--CA 1.493 2.465 0 O-C-N 120.662 -1.274 . . . . 0.0 109.935 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.9 140.75 74.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.738 2.292 . . . . 0.0 112.271 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.434 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.0 m-90 -105.86 134.77 48.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.024 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -154.77 172.57 17.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.72 -38.24 50.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.674 -0.641 . . . . 0.0 109.6 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.62 -42.76 75.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.983 -1.073 . . . . 0.0 109.1 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.544 HD13 ' OE1' ' A' ' 107' ' ' GLN . 40.4 tp -62.58 -35.6 80.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.897 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.5 tttt -57.82 -47.16 83.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.797 . . . . 0.0 110.213 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -68.11 -39.14 82.86 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.3 p -64.78 -35.31 80.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.081 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 121' ' ' LEU . 77.6 mt -63.37 -40.79 98.22 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.593 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.844 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.7 m95 -62.34 -36.81 83.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.502 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.44 95.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.3 m -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.365 -0.835 . . . . 0.0 109.776 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.561 HG23 HG23 ' A' ' 151' ' ' ILE . 91.4 mt -58.6 -42.18 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.31 -41.22 98.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.092 -1.005 . . . . 0.0 110.261 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.82 -38.75 89.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.562 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.708 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -63.56 -43.98 95.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.92 -36.57 81.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.076 -1.015 . . . . 0.0 110.009 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.65 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 93.0 m -65.38 -43.47 90.59 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.268 -0.895 . . . . 0.0 110.203 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.812 HD11 ' OG1' ' A' ' 97' ' ' THR . 92.9 mt -59.42 -42.51 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.071 -1.018 . . . . 0.0 110.348 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.844 HD21 HD12 ' A' ' 147' ' ' LEU . 87.5 mt -68.82 -45.29 71.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.93 -1.106 . . . . 0.0 110.034 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.609 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.8 t60 -69.61 -38.55 77.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 110.626 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.99 -32.37 72.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 111.275 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -143.3 58.7 1.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.747 -1.22 . . . . 0.0 111.258 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.73 -37.79 85.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.162 . . . . 0.0 109.354 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -28.91 68.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.56 -0.713 . . . . 0.0 111.104 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.06 0.32 57.47 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.825 -1.172 . . . . 0.0 110.385 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.7 mt -117.87 127.08 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.73 160.04 33.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.256 -0.903 . . . . 0.0 109.37 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.01 -38.49 91.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.952 . . . . 0.0 109.399 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.8 m -65.3 -45.12 85.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.464 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -63.06 -38.62 91.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 109.446 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.773 HG23 HD22 ' A' ' 132' ' ' LEU . 46.4 m -61.48 -39.92 92.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.19 -38.82 77.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 21.8 m -61.78 -41.47 97.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.159 -0.963 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.844 HD12 HD21 ' A' ' 132' ' ' LEU . 83.8 mt -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.46 -0.775 . . . . 0.0 109.628 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.76 -36.83 79.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.464 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 19.0 tttp -61.97 -41.06 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.93 . . . . 0.0 109.028 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 146' ' ' SER . 68.5 mtt85 -61.04 -41.91 97.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.032 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.9 mt -65.42 -43.93 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.8 mmtt -61.25 -39.14 89.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.617 -0.677 . . . . 0.0 109.763 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.55 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.9 t80 -58.53 -43.67 89.28 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.319 -0.863 . . . . 0.0 108.707 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.4 m -66.53 -41.28 89.0 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -58.85 -44.02 90.91 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.427 -0.795 . . . . 0.0 109.706 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.5 -50.2 53.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.768 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.6 -35.89 81.28 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 110.167 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.844 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -60.11 -39.5 86.4 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.103 -0.998 . . . . 0.0 108.734 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.6 t -66.96 -45.45 77.69 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.264 -0.898 . . . . 0.0 109.553 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -60.88 -38.2 84.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.751 . . . . 0.0 109.437 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 158' ' ' LEU . 19.2 mt -63.7 -36.78 85.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.35 -0.844 . . . . 0.0 109.373 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.64 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -69.65 -30.89 68.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.434 -0.791 . . . . 0.0 110.837 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -86.17 -1.77 57.74 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.845 -1.16 . . . . 0.0 110.206 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.99 16.06 79.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -74.36 -28.24 61.04 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.186 -1.185 . . . . 0.0 109.227 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.535 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.3 mm -107.29 133.35 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.352 -0.843 . . . . 0.0 109.197 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.567 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.572 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.3 mt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.559 ' C ' HD22 ' B' ' 129' ' ' ASN . 0.0 OUTLIER -73.98 20.0 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.672 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -62.39 -44.19 98.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.575 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -76.4 -40.36 51.06 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.76 -36.83 85.18 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.462 0.648 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.433 -0.792 . . . . 0.0 109.226 -179.797 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.427 ' N ' ' SD ' ' B' ' 140' ' ' MET . 3.7 mpp? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.495 0.664 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.33 -37.22 84.79 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.231 -0.918 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.12 -38.72 83.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.195 -0.941 . . . . 0.0 108.815 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.58 ' HB3' HD22 ' A' ' 95' ' ' ASN . 20.0 mt -58.76 -30.98 67.93 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 147' ' ' GLY . 52.0 mt -67.83 -30.19 47.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 120.928 -1.108 . . . . 0.0 108.018 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.7 -38.94 70.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -58.99 -35.7 73.67 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 147' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' B' ' 144' ' ' ILE . . . -61.24 -31.45 77.06 Favored Glycine 0 N--CA 1.484 1.835 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.61 -37.92 68.78 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.726 -1.456 . . . . 0.0 107.325 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.35 -34.17 74.84 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 105' ' ' LEU . 3.3 tm? -54.94 -43.93 73.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.85 -40.08 91.53 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.364 -0.835 . . . . 0.0 109.119 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.544 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 9.9 tm-20 -62.42 -39.52 93.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.688 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 109' ' ' LYS . 81.1 t -64.81 -49.88 77.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.483 -0.76 . . . . 0.0 110.253 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.55 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.54 -33.12 74.97 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.137 -0.977 . . . . 0.0 109.085 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.98 99.56 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.267 -0.895 . . . . 0.0 109.557 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.544 ' CE ' ' OE2' ' B' ' 152' ' ' GLU . 44.4 mtt -65.26 -37.6 87.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.044 -1.035 . . . . 0.0 109.628 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.49 -38.66 85.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.9 m-20 170.98 104.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.502 -0.748 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -58.3 -35.56 72.01 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 108.799 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 43.4 p -85.22 3.04 41.19 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.49 97.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -121.73 153.0 38.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.519 -0.989 . . . . 0.0 109.126 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.662 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -55.54 -34.51 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.087 -1.008 . . . . 0.0 109.171 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.56 -33.65 71.69 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.364 -0.835 . . . . 0.0 109.406 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.43 -24.33 57.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.638 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.6 mt -101.55 134.38 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.221 -0.924 . . . . 0.0 108.755 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.2 m -58.78 71.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.41 -0.806 . . . . 0.0 110.281 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.9 t0 -66.14 -38.56 88.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.06 76.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.051 . . . . 0.0 111.41 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 170' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.66 -44.13 64.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.94 -1.1 . . . . 0.0 109.73 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.1 -38.43 88.83 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.647 -0.658 . . . . 0.0 110.462 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.8 m-20 -61.12 -43.42 98.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.0 110.352 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.26 82.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.032 . . . . 0.0 109.791 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.5 mt-10 -65.35 -37.62 87.61 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 158' ' ' LEU . 17.7 tp -66.42 -36.7 83.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.97 -1.081 . . . . 0.0 110.69 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.0 m-20 -61.98 -36.86 82.74 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.97 -1.081 . . . . 0.0 108.507 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.32 68.81 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.272 -0.893 . . . . 0.0 108.68 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.64 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.0 mt -67.69 -38.01 83.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.454 -0.778 . . . . 0.0 110.35 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.25 -43.63 78.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.127 -0.983 . . . . 0.0 109.275 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.32 -36.13 81.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.429 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -70.12 -47.59 61.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 0.0 110.445 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 24.9 m-20 -68.58 -37.56 79.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.3 -1.572 0 O-C-N 121.39 -0.818 . . . . 0.0 109.312 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.17 -38.0 81.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.4 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.23 -39.65 93.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.0 109.437 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.15 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.202 -0.937 . . . . 0.0 109.687 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' A' ' 126' ' ' ASP . 9.2 ttm180 -59.84 -44.0 94.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.279 -0.888 . . . . 0.0 109.145 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.5 t -61.69 -39.54 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.8 -44.86 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.88 92.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.274 -0.891 . . . . 0.0 108.691 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m -62.02 -38.55 89.12 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.483 -0.761 . . . . 0.0 109.214 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.5 84.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.316 -0.865 . . . . 0.0 109.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -30.72 70.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 0.0 109.126 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.56 -41.31 94.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 23' ' ' ILE . 78.6 m-85 -63.99 -37.1 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.588 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -42.21 97.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.15 -0.968 . . . . 0.0 108.675 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -61.04 -30.43 70.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.47 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.502 -0.749 . . . . 0.0 109.726 -179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 4.93 63.19 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.475 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 20' ' ' LEU . 78.7 mt -95.93 69.35 2.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.977 -1.307 . . . . 0.0 109.197 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.65 -35.76 92.45 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.431 HD11 ' HE2' ' A' ' 79' ' ' MET . 78.5 mt -57.86 -43.24 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.295 . . . . 0.0 109.876 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.25 -48.92 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.008 -1.057 . . . . 0.0 108.645 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.11 -32.28 79.86 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.8 t80 -58.46 -49.41 77.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.4 m-85 -67.51 -36.24 80.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.173 -0.954 . . . . 0.0 110.244 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.7 mt -64.0 -41.77 97.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.016 -1.053 . . . . 0.0 110.345 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -39.86 92.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 108.969 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.47 -38.56 91.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.794 . . . . 0.0 109.161 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 34.9 t80 -62.76 -42.56 99.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.682 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.72 88.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.08 -1.012 . . . . 0.0 110.408 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.1 -47.28 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.063 -1.023 . . . . 0.0 110.488 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.4 mt-10 -63.39 -31.17 72.25 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.068 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -60.41 -48.08 83.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 45' ' ' MET . 98.0 mt -65.48 -43.12 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.204 -0.935 . . . . 0.0 109.448 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 36' ' ' LEU . 87.0 mt -64.75 -39.03 92.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.692 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -78.96 1.61 23.16 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.511 -0.743 . . . . 0.0 109.106 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.2 127.46 41.27 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.43 -36.24 82.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.235 -0.916 . . . . 0.0 109.654 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.84 125.92 42.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.286 -0.884 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -131.78 144.07 50.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.429 -0.794 . . . . 0.0 109.523 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -114.03 158.44 21.19 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -52.12 -34.75 45.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.938 -1.101 . . . . 0.0 108.365 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.74 -45.13 79.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.961 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.419 ' O ' HD13 ' A' ' 35' ' ' ILE . 90.2 mmm -74.63 -41.98 59.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.825 -1.172 . . . . 0.0 109.594 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.5 m -61.66 -45.11 95.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 109.349 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.42 72.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.479 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.64 -40.09 95.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.62 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.93 94.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.232 -0.917 . . . . 0.0 109.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.13 -45.88 91.54 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.296 -0.877 . . . . 0.0 110.19 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.15 -38.23 79.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.9 . . . . 0.0 109.67 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.78 -36.94 85.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 81.7 mt -58.41 -39.54 80.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.043 . . . . 0.0 109.22 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.27 -42.6 99.48 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.357 -0.839 . . . . 0.0 109.403 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 m -64.58 -44.5 90.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.341 -0.85 . . . . 0.0 109.741 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.46 -51.26 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.123 -0.986 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -38.82 90.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.29 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 109.225 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.6 t80 -65.51 -48.17 73.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 109.676 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 64' ' ' GLY . 28.4 tttt -60.69 -35.04 75.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.203 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.05 -34.66 78.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.075 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.3 -31.46 70.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.237 -0.914 . . . . 0.0 109.259 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 63' ' ' ILE . 4.9 mp -120.28 8.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.448 -0.782 . . . . 0.0 109.581 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.93 -37.82 45.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.37 3.87 66.72 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -36.73 81.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.992 -1.299 . . . . 0.0 108.992 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.99 -29.85 0.89 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.64 -32.21 73.62 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.04 -39.98 96.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.425 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.99 -39.82 42.29 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.202 -0.936 . . . . 0.0 108.844 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.19 -38.5 83.46 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.279 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -134.49 -60.26 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.849 . . . . 0.0 110.159 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 69' ' ' ALA . 56.0 t0 59.64 -6.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.523 -0.736 . . . . 0.0 109.181 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 72' ' ' SER . 19.1 ttpp -100.16 -81.21 0.47 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.191 -0.943 . . . . 0.0 108.885 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -68.06 -35.29 77.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.416 -0.802 . . . . 0.0 109.833 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 76' ' ' LEU . 35.0 tp -67.49 -35.4 79.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.925 -1.109 . . . . 0.0 109.479 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.485 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.4 t60 -60.24 -45.13 94.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.066 -1.021 . . . . 0.0 108.531 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.458 ' HE1' HD21 ' B' ' 133' ' ' LEU . 7.2 ttt -58.54 -36.42 73.86 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.49 -32.72 71.7 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.593 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 27.6 m -56.78 -37.65 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -60.02 -40.24 88.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.473 -0.767 . . . . 0.0 109.495 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.405 HG23 ' CE2' ' A' ' 25' ' ' TYR . 59.8 mt -84.4 -45.62 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.207 -0.933 . . . . 0.0 110.986 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.425 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 76.3 m80 -74.0 -47.04 39.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 111.108 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -83.41 100.92 11.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.856 -1.153 . . . . 0.0 109.897 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.0 mp0 -64.61 -35.51 81.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.279 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.47 -48.14 80.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.156 -0.965 . . . . 0.0 110.609 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.826 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 57.1 tttm -65.56 -39.76 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.066 -1.021 . . . . 0.0 109.153 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.29 -37.75 86.75 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.453 -0.779 . . . . 0.0 108.948 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -46.53 68.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.399 -0.813 . . . . 0.0 109.451 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.68 -46.16 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.171 -0.956 . . . . 0.0 109.809 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -65.01 -42.84 94.06 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.095 -1.003 . . . . 0.0 109.483 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.36 -40.85 97.78 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.981 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.21 -42.77 96.47 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.359 -0.838 . . . . 0.0 108.866 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.1 m120 -63.17 -40.74 98.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.01 -49.86 66.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.914 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.833 ' OG1' HD11 ' A' ' 131' ' ' ILE . 51.9 m -62.72 -44.44 96.21 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.394 -0.816 . . . . 0.0 109.01 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.3 mmm -63.08 -38.27 90.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 109.628 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.5 m -62.06 -46.23 90.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.234 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.76 -44.86 80.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 52.4 t80 -61.18 -43.07 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.659 -0.651 . . . . 0.0 109.666 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.476 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.4 t-20 -61.73 -38.57 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.5 -40.01 95.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 110.282 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.593 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 26.6 mmtt -64.94 -45.66 84.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.058 -1.026 . . . . 0.0 110.039 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 150' ' ' LEU . 20.1 mt -67.71 -36.09 79.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 108.534 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -60.02 -44.5 94.55 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.2 mt-30 -65.3 -36.87 85.41 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -58.5 -33.51 69.9 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' B' ' 153' ' ' VAL . 64.2 tttt -59.36 -38.93 81.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.709 -0.619 . . . . 0.0 110.08 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.6 m-20 -168.42 -20.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.64 157.81 5.11 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.75 140.55 74.7 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.922 2.415 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 167' ' ' GLY . 3.0 m-90 -106.38 137.61 44.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -154.33 172.23 18.0 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.937 -1.102 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.47 -39.13 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.677 -0.639 . . . . 0.0 109.292 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.6 ttp -56.41 -42.36 77.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.742 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 107' ' ' GLN . 37.3 tp -62.27 -36.73 82.96 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.313 -0.867 . . . . 0.0 109.019 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.9 tttt -57.71 -48.11 80.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.094 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -67.61 -38.87 84.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.383 -0.823 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.593 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.3 t -61.98 -38.88 90.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.08 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 121' ' ' LEU . 84.6 mt -61.41 -39.71 91.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.975 -1.078 . . . . 0.0 109.032 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.88 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.9 m95 -61.77 -38.38 87.79 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.413 -0.804 . . . . 0.0 109.188 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -41.84 95.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.494 -0.754 . . . . 0.0 109.659 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 50.5 m -61.81 -39.98 93.63 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.739 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.54 -42.57 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.013 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.588 ' OD1' ' NH1' ' A' ' 7' ' ' ARG . 92.1 m-20 -62.35 -41.11 98.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.989 . . . . 0.0 110.359 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.32 -40.65 95.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 0.0 110.648 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.671 ' HB3' HD11 ' A' ' 151' ' ' ILE . 23.9 m-85 -63.92 -42.82 97.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.866 -1.146 . . . . 0.0 110.311 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.79 -36.45 81.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.026 . . . . 0.0 109.907 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.0 -41.68 81.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.796 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.833 HD11 ' OG1' ' A' ' 97' ' ' THR . 94.0 mt -59.35 -42.34 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 110.468 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.639 HD21 HD12 ' A' ' 147' ' ' LEU . 85.6 mt -69.23 -45.29 70.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.006 -1.059 . . . . 0.0 110.337 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.585 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -66.97 -43.44 83.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.404 -0.81 . . . . 0.0 111.208 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.548 HD12 ' SG ' ' A' ' 130' ' ' CYS . 87.6 mt -61.18 -31.79 71.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 86' ' ' GLN . 5.6 m-90 -139.74 56.33 1.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.723 -1.236 . . . . 0.0 111.281 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -62.17 -38.43 89.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.916 -1.115 . . . . 0.0 109.38 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.02 -28.69 68.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.482 -0.762 . . . . 0.0 111.192 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.419 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.1 t-20 -91.87 1.02 57.45 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.5 mt -117.64 125.92 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 109.136 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 160.03 33.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -63.82 -38.9 92.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.5 m -65.62 -45.42 83.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.3 m -62.73 -38.62 91.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.359 -0.838 . . . . 0.0 109.272 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.62 HG23 HD22 ' A' ' 132' ' ' LEU . 44.6 m -61.4 -39.47 90.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.458 -0.776 . . . . 0.0 109.349 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.75 -38.97 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.578 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 m -61.85 -41.39 97.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.17 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.639 HD12 HD21 ' A' ' 132' ' ' LEU . 87.2 mt -66.7 -40.98 88.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.378 -0.826 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.84 -37.35 81.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.435 -0.791 . . . . 0.0 109.435 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -62.26 -41.56 98.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.961 . . . . 0.0 108.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.7 mtt85 -61.47 -41.84 97.87 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.403 -0.811 . . . . 0.0 108.974 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -65.48 -43.33 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.578 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.2 mmtt -61.25 -39.78 91.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' B' ' 154' ' ' LEU . 20.2 t80 -57.18 -43.66 82.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.367 -0.833 . . . . 0.0 108.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.81 -42.19 86.31 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.259 -0.9 . . . . 0.0 108.754 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -59.03 -43.46 91.62 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.447 HG23 HD13 ' B' ' 171' ' ' LEU . 89.5 mt -69.2 -49.16 64.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 O-C-N 120.89 -1.131 . . . . 0.0 110.696 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.767 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.6 m-85 -65.92 -35.55 80.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.987 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 1.016 HD23 HD11 ' B' ' 175' ' ' LEU . 32.5 tp -59.85 -36.02 75.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.817 -1.177 . . . . 0.0 108.414 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.587 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.1 OUTLIER -70.29 -39.14 75.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 109.531 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.08 -39.34 85.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.3 mt -59.62 -36.32 76.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 108.557 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.86 -29.03 70.26 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.457 -0.777 . . . . 0.0 109.409 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -80.35 -16.03 55.49 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.231 -0.918 . . . . 0.0 109.385 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.99 81.79 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 108.404 -1.879 . . . . 0.0 108.404 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.61 -28.41 60.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.558 -0.966 . . . . 0.0 109.844 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.0 131.59 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.175 -0.953 . . . . 0.0 108.93 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.57 ' O ' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.093 0 CA-C-O 117.916 -1.491 . . . . 0.0 109.646 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.562 HG22 ' OD1' ' B' ' 129' ' ' ASN . 80.2 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.562 ' OD1' HG22 ' B' ' 128' ' ' ILE . 36.9 m-20 -75.83 20.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.826 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 19.8 tt -64.81 -41.72 92.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.548 ' N ' HG23 ' B' ' 130' ' ' ILE . 83.1 m-20 -74.87 -41.63 59.43 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.96 -39.46 87.25 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.481 0.658 . . . . 0.0 109.824 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' LEU . . . . . 0.458 HD21 ' HE1' ' A' ' 79' ' ' MET . 3.2 tt . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.529 -0.732 . . . . 0.0 110.558 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.418 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.951 0.881 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.6 -32.45 65.28 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.2 -35.72 72.05 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.13 -34.04 71.59 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.12 -30.55 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.26 -0.9 . . . . 0.0 108.937 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.06 -36.68 75.46 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -59.15 -35.99 74.49 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.05 82.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -55.83 -38.88 70.62 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.854 -1.38 . . . . 0.0 107.747 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -61.09 -33.95 74.16 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.957 HD11 HD12 ' A' ' 105' ' ' LEU . 39.6 tp -55.26 -41.75 72.63 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.286 -0.884 . . . . 0.0 108.778 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.76 -42.1 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.1 tm-20 -63.26 -40.25 96.89 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 109' ' ' LYS . 93.1 t -65.4 -49.41 78.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.404 -0.81 . . . . 0.0 110.158 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.6 -33.23 75.2 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.012 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.76 97.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.355 -0.84 . . . . 0.0 109.715 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.653 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -63.36 -39.0 93.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.509 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.2 t-20 -60.74 -38.02 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 109.236 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 0.7 OUTLIER 167.42 106.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.474 -0.766 . . . . 0.0 109.105 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.04 -35.35 71.18 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.193 -0.942 . . . . 0.0 108.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.4 p -83.09 2.93 32.73 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.89 0.06 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -123.72 153.53 40.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.584 -0.951 . . . . 0.0 109.062 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.659 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -54.65 -36.37 64.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.107 -0.996 . . . . 0.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.95 -32.92 71.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.903 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 -27.51 59.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 110.246 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 52.2 mt -98.36 135.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 108.896 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 167' ' ' SER . . . . . 0.702 ' O ' HD12 ' B' ' 171' ' ' LEU . 23.1 m -57.04 74.85 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.1 t0 -63.85 -36.47 84.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.793 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.01 76.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.121 -0.987 . . . . 0.0 111.62 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -71.54 -44.65 64.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.789 -1.195 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 171' ' ' LEU . . . . . 0.702 HD12 ' O ' ' B' ' 167' ' ' SER . 15.1 mt -61.26 -38.53 87.05 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.704 -0.623 . . . . 0.0 110.021 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.578 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 96.4 m-20 -65.45 -43.22 91.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 110.63 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.03 82.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.189 -0.944 . . . . 0.0 110.401 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.03 -30.16 70.64 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 109.757 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 1.016 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -65.52 -42.86 91.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 110.674 -179.423 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -63.32 -42.96 99.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.948 -1.095 . . . . 0.0 109.126 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.78 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.101 -0.999 . . . . 0.0 108.834 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -61.88 -37.51 84.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.403 -0.811 . . . . 0.0 109.577 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.77 -40.33 79.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.122 -0.986 . . . . 0.0 108.624 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.99 -31.83 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.528 -0.733 . . . . 0.0 109.249 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.58 -43.22 99.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.315 -0.866 . . . . 0.0 110.575 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -93.36 -27.99 16.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.019 -1.051 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.301 -1.521 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.71 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.3 t-20 -60.29 -38.28 83.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.384 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.623 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.27 -39.56 93.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.37 88.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.976 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.506 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 49.1 ttt-85 -59.79 -40.83 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.221 -0.925 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.578 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.2 t -60.66 -40.01 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' NZ ' ' A' ' 13' ' ' LYS . 74.3 t -62.25 -47.49 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 109.137 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -41.37 80.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.874 . . . . 0.0 108.655 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 63.5 m -61.95 -38.88 90.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.86 -39.68 78.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.543 ' NZ ' HG12 ' A' ' 9' ' ' VAL . 51.7 mttp -61.19 -30.89 70.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.042 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -60.63 -40.75 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.432 -0.793 . . . . 0.0 109.497 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 23' ' ' ILE . 76.7 m-85 -63.61 -38.42 91.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.367 -0.833 . . . . 0.0 109.5 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.93 -39.75 90.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.091 -1.006 . . . . 0.0 108.964 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.54 -32.67 71.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 0.0 109.262 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.75 -7.94 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.326 -0.859 . . . . 0.0 109.762 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.88 4.99 63.03 Favored Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.45 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 20' ' ' LEU . 59.4 mt -94.1 57.62 2.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.102 -1.234 . . . . 0.0 109.342 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.15 -33.46 69.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mm -57.95 -43.44 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.246 . . . . 0.0 109.552 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.9 mm -67.65 -47.9 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.011 -1.055 . . . . 0.0 108.866 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.56 80.71 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 86.3 t80 -58.68 -48.11 82.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.369 -1.077 . . . . 0.0 109.895 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 31.3 m-85 -67.3 -35.77 80.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.195 -0.941 . . . . 0.0 109.988 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.94 -40.6 96.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.055 -1.028 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.495 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -61.08 -40.17 92.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.989 -1.069 . . . . 0.0 108.875 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.5 -39.25 93.44 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.786 ' CE1' HD11 ' A' ' 34' ' ' LEU . 47.9 t80 -64.79 -43.84 91.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.543 -0.723 . . . . 0.0 110.344 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.88 85.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 110.286 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.33 -48.06 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.475 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -64.57 -31.81 73.19 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.801 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.45 -47.15 87.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.24 -0.912 . . . . 0.0 109.834 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.71 -46.23 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.66 -37.79 88.66 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.407 -0.808 . . . . 0.0 109.5 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -68.39 -13.52 62.34 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -86.71 124.24 32.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.542 -0.724 . . . . 0.0 109.44 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.85 -36.16 81.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.846 . . . . 0.0 109.801 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -89.56 125.72 35.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -137.66 142.15 41.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 45' ' ' MET . 30.3 t -110.16 158.22 18.57 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.55 55.63 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.863 -1.148 . . . . 0.0 108.389 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.26 -41.84 72.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.379 -0.825 . . . . 0.0 109.782 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.46 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -70.91 -40.89 71.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.806 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -62.53 -42.4 99.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.559 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.34 -33.88 76.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.26 -39.97 94.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.304 -0.872 . . . . 0.0 109.763 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.13 90.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 m -60.38 -45.65 92.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.412 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.18 -38.32 76.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.8 mt -64.1 -38.37 90.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.154 -0.966 . . . . 0.0 109.938 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.76 -39.59 81.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.95 -43.06 99.82 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.28 -0.888 . . . . 0.0 109.279 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.495 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -66.88 -46.7 74.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.709 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.2 mt -60.08 -48.73 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.401 -0.812 . . . . 0.0 109.334 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.12 -39.36 94.47 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 108.994 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.51 81.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.849 . . . . 0.0 108.952 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -65.08 -48.69 72.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.817 . . . . 0.0 109.514 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 43.1 tttt -64.2 -39.56 94.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.023 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -63.15 -33.66 75.95 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.79 -31.45 68.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.757 . . . . 0.0 109.038 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 63' ' ' ILE . 74.2 mt -123.77 9.43 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.523 -0.736 . . . . 0.0 109.763 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.49 -37.8 61.39 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.68 2.96 64.73 Favored Glycine 0 N--CA 1.489 2.206 0 O-C-N 121.196 -1.179 . . . . 0.0 110.163 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.11 -36.94 81.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.005 -1.291 . . . . 0.0 109.026 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.92 -29.64 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.63 -30.44 71.55 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.18 83.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.461 -0.774 . . . . 0.0 109.366 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.73 -43.49 85.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.015 -1.053 . . . . 0.0 108.449 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -64.8 -38.69 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 t -158.76 98.72 1.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 60.7 t0 -98.09 7.2 46.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.58 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -97.7 -75.79 0.54 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.07 -39.69 86.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.371 -0.831 . . . . 0.0 111.325 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -67.4 -35.71 79.83 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.798 -1.189 . . . . 0.0 109.998 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 52.3 t-80 -59.46 -45.2 92.29 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.97 . . . . 0.0 109.53 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.58 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.8 -42.15 94.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 108.636 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.454 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 ttt -58.32 -36.53 73.52 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.82 71.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.8 -37.52 71.29 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.6 mt -60.19 -40.64 90.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.488 -0.758 . . . . 0.0 109.477 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.1 mt -86.07 -45.4 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.206 -0.934 . . . . 0.0 111.284 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -74.17 -47.72 33.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 111.26 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -81.26 101.32 9.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 0.0 109.636 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.6 -37.06 86.25 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -47.69 84.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.948 . . . . 0.0 110.44 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.794 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 59.1 tttm -66.04 -43.01 88.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 109.166 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.25 -37.95 89.32 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -45.2 75.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.503 -0.748 . . . . 0.0 110.159 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 91' ' ' ILE . 54.5 mt -65.21 -41.75 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.042 . . . . 0.0 109.37 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -64.26 -42.95 96.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.255 -0.903 . . . . 0.0 109.737 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.62 -40.43 96.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 109.784 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.86 -40.14 91.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.493 ' O ' ' OG ' ' A' ' 99' ' ' SER . 1.2 t30 -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 109.686 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.93 -47.78 81.79 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.301 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.8 m -63.23 -46.12 88.44 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.1 mmm -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.191 -0.943 . . . . 0.0 109.634 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 40.2 m -61.18 -46.15 91.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.148 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.629 HD11 ' HZ1' ' A' ' 104' ' ' LYS . 59.8 tp -66.72 -44.69 80.92 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.874 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.4 t80 -61.36 -42.57 98.91 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.657 -0.652 . . . . 0.0 109.496 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.0 -38.39 85.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 0.0 109.642 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -42.05 99.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.277 -0.889 . . . . 0.0 109.902 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HZ1' HD11 ' A' ' 100' ' ' LEU . 14.3 mmtm -63.53 -45.07 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.928 . . . . 0.0 109.587 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 101' ' ' TYR . 61.4 mt -65.74 -36.99 85.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.25 -0.906 . . . . 0.0 108.844 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -61.32 -46.04 91.92 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.1 mm-40 -63.01 -36.68 84.35 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.8 tp -58.86 -32.93 69.9 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.626 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 15.5 tttt -58.91 -40.6 85.0 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.659 -0.651 . . . . 0.0 110.081 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.27 -8.46 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.986 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -64.58 157.42 44.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -62.9 139.39 73.77 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.782 2.321 . . . . 0.0 112.368 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.427 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.5 m-90 -105.95 134.56 48.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.412 -0.805 . . . . 0.0 108.873 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -154.47 173.1 16.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.042 -1.037 . . . . 0.0 110.513 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.2 t -55.67 -38.26 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.717 -0.614 . . . . 0.0 109.486 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.17 -42.69 77.45 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.888 -1.132 . . . . 0.0 108.939 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.44 -36.47 82.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.279 -0.888 . . . . 0.0 109.002 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 83.9 tttt -57.49 -47.39 82.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.426 -0.796 . . . . 0.0 110.255 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -67.41 -39.2 85.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.375 -0.828 . . . . 0.0 110.002 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.1 p -65.44 -35.04 79.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 121' ' ' LEU . 76.0 mt -63.32 -41.02 98.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.869 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.0 m95 -63.18 -36.54 83.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.889 . . . . 0.0 108.858 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -41.99 98.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.572 -0.705 . . . . 0.0 109.754 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -39.99 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.484 HG23 HG23 ' A' ' 151' ' ' ILE . 92.6 mt -57.7 -42.38 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.979 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.46 -40.51 94.76 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.197 -0.939 . . . . 0.0 109.847 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.18 -39.28 94.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.274 -0.891 . . . . 0.0 110.417 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 151' ' ' ILE . 21.7 m-85 -64.6 -42.82 95.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.047 -1.033 . . . . 0.0 110.524 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -65.04 -31.68 73.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 109.995 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.91 76.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.136 -0.977 . . . . 0.0 109.774 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.751 HD11 ' OG1' ' A' ' 97' ' ' THR . 93.5 mt -59.47 -45.29 93.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.062 -1.024 . . . . 0.0 110.137 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 147' ' ' LEU . 90.4 mt -70.48 -44.12 68.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.096 -1.003 . . . . 0.0 110.205 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.597 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 12.1 t60 -67.58 -45.15 76.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.468 -0.77 . . . . 0.0 111.154 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 130' ' ' CYS . 88.6 mt -61.43 -33.01 73.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.2 -0.937 . . . . 0.0 111.414 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -136.41 57.75 1.76 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -62.06 -39.44 92.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.994 -1.066 . . . . 0.0 109.463 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.68 -27.55 65.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.434 -0.791 . . . . 0.0 111.759 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.01 2.47 56.53 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.622 -1.299 . . . . 0.0 110.91 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.422 HD13 HD23 ' A' ' 132' ' ' LEU . 74.4 mt -116.88 129.65 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.185 -0.947 . . . . 0.0 109.17 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.6 159.73 33.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 0.0 109.679 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.16 -38.97 92.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.356 -0.84 . . . . 0.0 109.734 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.4 m -63.92 -45.77 87.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.451 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.6 t -63.19 -37.32 86.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.343 -0.848 . . . . 0.0 109.22 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.456 HG23 HD22 ' A' ' 132' ' ' LEU . 39.5 m -60.35 -41.42 93.61 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.71 -39.52 81.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.859 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.535 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 t -62.0 -43.22 99.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 132' ' ' LEU . 84.8 mt -65.86 -41.36 91.74 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.413 -0.804 . . . . 0.0 109.948 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.09 -37.19 81.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.35 -41.06 98.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.179 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.8 mtt85 -61.14 -41.72 97.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 109.152 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.589 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.3 mmtt -61.06 -39.39 89.65 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.686 -0.634 . . . . 0.0 109.657 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.506 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.1 t80 -57.88 -43.67 86.22 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.51 -0.744 . . . . 0.0 109.111 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.46 -41.1 93.75 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 108.859 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -58.49 -43.91 89.19 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.388 -0.82 . . . . 0.0 109.68 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.52 -50.64 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.249 -0.907 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.68 -35.76 80.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.378 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.869 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.8 tp -60.12 -38.3 82.6 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 108.532 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 m -66.65 -45.82 77.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.367 -0.833 . . . . 0.0 109.255 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -61.5 -38.67 88.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.617 -0.677 . . . . 0.0 109.609 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.9 mt -63.64 -41.52 98.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.284 -0.885 . . . . 0.0 109.705 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.37 61.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -84.29 -3.37 58.19 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.787 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.16 12.36 84.69 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.11 -29.13 60.49 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.232 -1.158 . . . . 0.0 109.985 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.6 mm -106.42 133.2 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.162 -0.961 . . . . 0.0 109.239 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 CA-C-O 117.933 -1.481 . . . . 0.0 109.54 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.909 HG23 ' H ' ' B' ' 129' ' ' ASN . 16.4 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.909 ' H ' HG23 ' B' ' 128' ' ' ILE . 75.8 m-20 -75.36 18.99 0.18 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.489 -1.382 . . . . 0.0 108.073 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.794 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 20.5 tt -69.69 -43.36 80.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.578 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.4 m-20 -69.11 -41.81 76.92 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.84 -46.31 79.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.745 0.783 . . . . 0.0 109.415 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 122.004 0.907 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 68.8 mt -56.58 -33.07 65.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.223 -0.923 . . . . 0.0 109.204 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.65 -36.87 77.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.183 -0.948 . . . . 0.0 108.694 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.621 HD22 ' N ' ' B' ' 143' ' ' LEU . 3.7 mm? -60.75 -31.14 70.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 0.0 108.65 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.88 -31.98 54.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -57.7 -38.97 76.13 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.42 -35.8 74.66 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.29 80.22 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.78 -38.7 70.27 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.96 -34.0 72.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.701 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.1 tt -55.0 -43.03 73.23 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.54 -39.82 92.45 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.344 -0.848 . . . . 0.0 109.254 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.567 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.2 tm-20 -61.77 -38.55 88.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.495 -0.753 . . . . 0.0 109.683 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 33.2 t -65.46 -50.18 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.162 -0.961 . . . . 0.0 110.216 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 154' ' ' LEU . 1.5 mm? -66.26 -33.33 75.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 109.267 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.21 99.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.626 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.1 mtp -66.45 -38.64 87.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 109.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.1 t-20 -60.67 -38.25 84.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.8 m-20 170.5 107.31 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.831 . . . . 0.0 109.277 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.85 -35.23 70.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.9 p -85.21 2.84 42.06 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.63 97.99 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -126.36 154.3 43.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.943 . . . . 0.0 109.089 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.715 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.0 -34.05 63.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 109.464 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.58 -32.97 70.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.374 -0.829 . . . . 0.0 109.73 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.48 -22.91 56.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.3 -0.875 . . . . 0.0 109.908 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.6 mt -102.68 134.29 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.227 -0.92 . . . . 0.0 108.989 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 13.6 t -59.67 70.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.415 -0.803 . . . . 0.0 110.168 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.1 t0 -64.04 -38.17 90.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.5 -48.91 77.49 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.981 -1.074 . . . . 0.0 111.333 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -42.71 68.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.883 -1.136 . . . . 0.0 109.841 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.39 -38.25 90.42 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.589 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -60.96 -42.47 98.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.67 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.68 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.053 -1.029 . . . . 0.0 110.199 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.5 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.77 -37.26 81.84 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.177 -0.952 . . . . 0.0 110.31 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.1 -37.08 80.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.04 -1.037 . . . . 0.0 110.553 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -62.71 -39.68 94.79 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.003 -1.06 . . . . 0.0 109.123 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.44 -42.95 64.45 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.104 -0.998 . . . . 0.0 108.344 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.458 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.2 tp -65.12 -38.38 90.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.556 -0.715 . . . . 0.0 109.651 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.83 -41.68 71.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.216 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.28 -36.32 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 108.995 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.44 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.2 tm-20 -67.58 -46.37 72.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.385 -0.822 . . . . 0.0 109.95 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 47.5 m-20 -70.74 -36.22 73.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.419 -0.801 . . . . 0.0 109.761 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.268 -179.597 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 86.6 m-20 -60.44 -36.69 78.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.244 -0.91 . . . . 0.0 109.443 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.07 -39.43 92.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.08 90.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.928 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.539 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 45.2 ttt-85 -59.83 -41.02 90.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.116 -0.99 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.3 t -60.64 -40.09 83.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.07 -47.36 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 108.641 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.539 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 51.7 m -61.29 -38.33 86.41 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.02 81.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 108.717 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.54 -33.1 72.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.141 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -60.5 -38.7 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 108.977 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE2' HG21 ' A' ' 23' ' ' ILE . 54.8 m-85 -62.88 -42.33 99.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.257 -0.902 . . . . 0.0 108.818 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.23 -41.57 97.11 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.75 -11.35 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.648 -0.658 . . . . 0.0 109.492 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.15 4.7 62.76 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' H ' HG12 ' A' ' 18' ' ' VAL . 93.1 mt -101.69 72.44 1.38 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.035 -1.273 . . . . 0.0 109.226 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.95 -32.87 85.62 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.712 HD11 ' CE ' ' A' ' 79' ' ' MET . 75.6 mt -57.45 -43.24 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.991 -1.3 . . . . 0.0 109.93 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.827 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.6 mm -66.57 -47.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 108.791 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.77 83.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 87.1 t80 -58.77 -48.9 79.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -1.049 . . . . 0.0 109.793 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 40.0 m-85 -67.34 -36.73 82.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.029 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.2 mt -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.043 -1.035 . . . . 0.0 110.083 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.547 HE22 HG21 ' A' ' 55' ' ' THR . 96.9 mt-30 -61.03 -39.97 91.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.958 -1.089 . . . . 0.0 108.539 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.13 -39.02 92.45 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE1' HD11 ' A' ' 34' ' ' LEU . 68.1 t80 -65.07 -45.6 84.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.655 -0.653 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.82 88.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.111 -0.993 . . . . 0.0 109.977 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.09 -47.85 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.953 . . . . 0.0 110.201 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.582 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.54 -32.84 74.65 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.363 -0.835 . . . . 0.0 109.749 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.4 -46.35 90.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.279 -0.888 . . . . 0.0 109.651 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.54 -46.38 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.841 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.47 -38.72 92.01 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.364 -0.835 . . . . 0.0 109.523 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.7 t -68.63 -10.75 57.99 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -92.88 126.07 37.78 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.373 -0.829 . . . . 0.0 109.485 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.91 -35.21 79.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.791 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.63 125.63 33.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 110.045 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -142.09 143.95 33.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.637 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.16 158.89 20.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -52.85 -34.3 53.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.862 -1.148 . . . . 0.0 108.45 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -69.97 -44.06 70.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.283 -0.885 . . . . 0.0 109.799 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.454 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.1 mtp -69.01 -40.91 78.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.825 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.0 109.633 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.17 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -0.821 . . . . 0.0 109.952 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.27 -40.34 95.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.747 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.56 88.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.124 -0.985 . . . . 0.0 109.675 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.45 -45.78 92.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 110.504 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -38.12 74.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 0.0 109.735 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.1 mt -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 109.931 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.22 -39.01 77.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.057 -1.027 . . . . 0.0 109.173 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.16 -43.37 98.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.237 -0.914 . . . . 0.0 109.38 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.547 HG21 HE22 ' A' ' 28' ' ' GLN . 46.7 m -68.42 -47.49 67.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.918 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 52' ' ' LEU . 3.1 mt -60.76 -48.46 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.281 -0.887 . . . . 0.0 109.774 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.92 -40.41 91.41 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.037 -1.039 . . . . 0.0 109.225 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.29 80.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 108.938 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -61.86 -47.17 86.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.749 . . . . 0.0 110.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.592 ' O ' ' N ' ' A' ' 64' ' ' GLY . 39.5 tttt -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -63.31 -33.16 74.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 108.684 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.2 -31.06 66.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 63' ' ' ILE . 70.7 mt -123.76 7.83 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.584 -0.697 . . . . 0.0 109.774 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.66 -37.87 62.38 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.56 63.79 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -37.76 73.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.907 -1.349 . . . . 0.0 108.958 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -135.21 -29.73 1.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.17 -31.45 72.6 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.89 -35.69 77.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.388 -0.82 . . . . 0.0 109.24 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -58.4 -42.9 88.16 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.049 -1.032 . . . . 0.0 108.505 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -65.24 -39.4 92.66 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -158.79 95.49 1.3 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -93.81 6.85 47.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 0.0 109.689 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -95.87 -75.36 0.53 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.16 -0.962 . . . . 0.0 110.004 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -67.32 -40.26 85.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.806 . . . . 0.0 111.39 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.51 HD11 HG23 ' A' ' 63' ' ' ILE . 31.4 tp -68.41 -34.98 76.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.486 -1.384 . . . . 0.0 109.779 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.421 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.6 t60 -60.02 -45.06 94.01 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.235 -0.916 . . . . 0.0 109.584 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.12 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.712 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.6 ttt -58.84 -36.48 74.63 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.42 -32.83 71.73 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.0 m -57.15 -37.52 72.17 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.08 -40.8 90.81 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.42 -0.8 . . . . 0.0 109.443 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.5 mt -85.06 -45.78 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.135 -0.978 . . . . 0.0 111.077 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' ND1' ' ND2' ' A' ' 80' ' ' ASN . 77.7 m80 -72.82 -46.76 51.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.34 -0.85 . . . . 0.0 111.138 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -83.15 99.12 9.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.903 -1.123 . . . . 0.0 109.613 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.453 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.1 mp0 -64.53 -35.98 82.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 110.21 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.81 -47.68 84.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.0 110.158 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 61.2 tttm -66.32 -41.74 89.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.443 -0.786 . . . . 0.0 108.894 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -44.72 70.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.49 -0.756 . . . . 0.0 109.684 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.467 HG22 ' OD1' ' A' ' 95' ' ' ASN . 82.4 mt -65.05 -40.07 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.161 -0.962 . . . . 0.0 109.694 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -65.72 -43.86 87.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.638 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -62.15 -41.15 98.0 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.987 . . . . 0.0 108.509 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.4 tp -65.56 -42.2 92.11 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.475 HD21 ' CG1' ' B' ' 144' ' ' ILE . 20.9 m120 -62.88 -43.24 99.33 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.37 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.16 -48.88 69.31 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.296 -0.878 . . . . 0.0 108.888 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 127' ' ' LEU . 57.7 m -61.65 -44.41 97.02 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.002 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.0 -38.1 89.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.358 -0.839 . . . . 0.0 109.443 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -62.77 -47.08 85.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 109.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 45.4 tp -67.36 -45.06 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.16 -0.963 . . . . 0.0 108.555 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.884 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 27.6 t80 -63.58 -39.55 94.67 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.594 -0.691 . . . . 0.0 109.468 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.503 ' HA ' HD23 ' B' ' 150' ' ' LEU . 59.6 t-20 -62.39 -41.3 98.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.547 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.99 -39.45 93.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 110.027 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.504 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.9 mmtm -62.7 -44.9 95.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.101 -1.0 . . . . 0.0 110.093 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.958 HD12 HD21 ' B' ' 150' ' ' LEU . 23.9 mt -67.99 -35.79 78.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.938 -1.101 . . . . 0.0 108.545 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.0 tttp -59.59 -42.11 91.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.7 mt-30 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 157' ' ' TYR . 4.4 tp -57.93 -33.86 69.26 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 57.7 tttt -59.35 -45.03 92.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.758 -0.588 . . . . 0.0 110.223 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 66.0 m-20 -161.98 -1.42 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.169 -0.957 . . . . 0.0 111.132 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -74.04 158.07 51.76 Favored Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.688 -1.258 . . . . 0.0 110.125 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.4 140.33 69.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.492 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.5 m-90 -106.1 135.46 47.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.825 . . . . 0.0 109.299 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -157.25 172.31 18.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.089 -1.007 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.62 -38.2 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.679 -0.638 . . . . 0.0 109.433 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -54.78 -42.62 71.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.971 -1.081 . . . . 0.0 108.903 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.8 tp -62.31 -36.81 83.3 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.273 -0.892 . . . . 0.0 109.042 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.522 ' HZ1' ' HB2' ' B' ' 182' ' ' ASP . 40.0 tttt -59.09 -47.31 85.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.49 -0.756 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -65.45 -39.51 92.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.447 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.5 p -66.75 -35.28 79.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 109.877 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.6 mt -64.31 -41.21 96.94 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.2 -0.938 . . . . 0.0 109.396 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.828 ' NE1' HD21 ' A' ' 158' ' ' LEU . 37.7 m95 -61.94 -36.89 82.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -0.912 . . . . 0.0 108.655 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.461 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.49 -40.65 89.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.538 -0.726 . . . . 0.0 109.312 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 79.8 m -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.08 -42.12 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 109.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 97' ' ' THR . 74.4 mt -62.3 -40.43 96.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.329 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 151' ' ' ILE . 31.0 m-85 -65.31 -43.11 92.11 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 0.0 110.379 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.3 p -65.24 -31.15 72.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.03 -1.044 . . . . 0.0 109.822 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.97 76.76 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.757 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.402 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.7 mt -59.41 -43.25 89.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 110.28 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.775 HD22 HG23 ' A' ' 144' ' ' THR . 81.4 mt -68.02 -44.79 75.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 110.225 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.582 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -68.0 -45.85 72.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.454 -0.779 . . . . 0.0 111.265 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.5 mt -61.4 -32.09 72.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.315 -0.866 . . . . 0.0 111.758 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -136.77 57.22 1.77 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.842 -1.161 . . . . 0.0 111.1 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.96 -38.93 93.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.972 -1.08 . . . . 0.0 109.295 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.57 -29.25 68.56 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.553 -0.717 . . . . 0.0 111.434 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -91.78 0.67 57.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.678 -1.264 . . . . 0.0 110.502 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.3 mt -118.66 125.92 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.305 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.5 m -70.97 160.24 33.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.364 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.34 -38.87 92.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.209 -0.932 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.7 m -65.79 -44.7 84.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 0.0 109.385 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.38 -38.62 90.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.775 HG23 HD22 ' A' ' 132' ' ' LEU . 46.6 m -61.41 -39.03 89.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.316 -0.865 . . . . 0.0 109.298 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -57.48 -40.02 77.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.7 m -61.39 -41.53 97.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 132' ' ' LEU . 82.2 mt -66.47 -41.17 89.42 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.365 -0.835 . . . . 0.0 109.453 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.04 -36.05 78.53 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.423 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.418 ' HZ1' ' CD ' ' B' ' 162' ' ' GLU . 45.1 tttp -61.38 -41.34 96.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.246 -0.909 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.555 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 67.1 mtt85 -61.53 -42.15 98.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.008 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.9 mt -65.11 -39.87 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 3.2 mmtt -60.76 -42.48 97.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.568 -0.708 . . . . 0.0 109.559 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.617 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 46.5 t80 -57.27 -43.41 83.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -64.86 -43.4 93.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -58.6 -43.96 89.71 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.364 -0.835 . . . . 0.0 109.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.4 ' O ' ' OG ' ' A' ' 159' ' ' SER . 92.7 mt -69.73 -50.41 49.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.124 -0.985 . . . . 0.0 110.768 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.6 m-85 -66.82 -35.87 81.06 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 110.575 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.828 HD21 ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -60.28 -36.36 77.67 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.054 -1.028 . . . . 0.0 108.253 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 85.3 p -69.43 -43.03 74.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.464 -0.772 . . . . 0.0 109.905 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 166' ' ' ILE . 8.1 mtpm? -63.01 -37.75 88.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.353 -0.842 . . . . 0.0 109.581 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.51 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.2 mt -63.49 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.588 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.81 -31.28 70.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.422 -0.798 . . . . 0.0 110.73 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -86.3 -2.03 58.03 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.884 -1.135 . . . . 0.0 110.111 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.15 79.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -74.4 -28.52 61.12 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.202 -1.175 . . . . 0.0 109.229 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.646 HD11 ' NZ ' ' A' ' 160' ' ' LYS . 22.7 mm -107.83 133.45 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.349 -0.844 . . . . 0.0 109.08 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLY . . . . . 0.492 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.179 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.577 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.5 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.448 ' N ' HG22 ' B' ' 128' ' ' ILE . 78.9 m-20 -75.36 20.21 0.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.615 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.26 -41.71 92.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.574 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -70.49 -42.8 70.89 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.545 -0.862 . . . . 0.0 108.904 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.6 -42.75 77.73 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.536 0.684 . . . . 0.0 109.796 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 110.01 -179.166 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.2 mtp . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.839 0.828 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.52 -33.72 75.47 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.125 -0.984 . . . . 0.0 108.586 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.7 -36.38 76.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.24 -34.6 68.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 144' ' ' ILE . . . . . 0.475 ' CG1' HD21 ' A' ' 95' ' ' ASN . 55.4 mt -67.62 -31.11 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.492 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.21 -37.59 69.86 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.22 -36.02 74.68 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.66 85.05 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.85 -39.12 71.0 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.976 -1.308 . . . . 0.0 107.643 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.0 tt0 -59.17 -33.4 70.88 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.958 HD21 HD12 ' A' ' 105' ' ' LEU . 1.6 tm? -54.55 -45.8 73.53 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.75 -40.65 93.21 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 108.998 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.553 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.1 tm-20 -63.0 -40.18 96.98 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.384 -0.822 . . . . 0.0 109.748 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.68 -50.2 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 110.415 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.617 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.53 -33.19 75.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.14 -0.975 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.43 96.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.555 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -64.19 -36.96 85.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.028 -1.045 . . . . 0.0 109.717 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.7 t-20 -60.37 -39.45 87.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.264 -0.897 . . . . 0.0 109.683 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.1 m120 163.38 108.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.396 -0.815 . . . . 0.0 109.134 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -58.28 -35.75 72.25 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.117 -0.99 . . . . 0.0 109.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.9 p -82.21 0.61 40.35 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -75.95 101.92 1.5 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 162' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' B' ' 163' ' ' LEU . 1.2 tm-20 -124.02 173.21 8.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.478 -1.013 . . . . 0.0 109.543 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.561 ' H ' ' CD ' ' B' ' 162' ' ' GLU . 6.8 mp -60.11 -36.2 76.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.183 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.98 -33.58 72.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.814 . . . . 0.0 109.579 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.66 -20.6 58.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 34.1 mt -102.83 134.14 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.4 p -58.5 70.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.406 -0.809 . . . . 0.0 110.488 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.0 t0 -64.1 -37.81 88.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.147 -0.971 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.14 -49.25 75.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.034 . . . . 0.0 111.346 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 170' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.54 -43.58 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.901 -1.124 . . . . 0.0 109.579 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.1 -38.42 88.81 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.694 -0.628 . . . . 0.0 110.575 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 92.0 m-20 -61.68 -42.91 99.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.09 -1.006 . . . . 0.0 110.345 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.062 -1.024 . . . . 0.0 109.723 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 174' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.4 mt-10 -65.39 -38.39 89.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 110.419 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 0.488 HD21 HD23 ' A' ' 158' ' ' LEU . 18.5 tp -67.13 -34.87 78.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.904 -1.123 . . . . 0.0 110.51 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 176' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 28.3 m-20 -61.87 -36.85 82.48 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 108.64 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.47 68.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 108.565 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 178' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.1 mt -65.16 -36.7 85.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.509 -0.745 . . . . 0.0 110.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -62.64 -38.36 89.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.081 -1.012 . . . . 0.0 110.004 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -61.89 -42.5 99.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 0.0 110.24 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' B' ' 182' ' ' ASP . 2.9 pp20? -85.83 -33.42 21.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.183 -0.948 . . . . 0.0 110.036 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.551 ' N ' ' CD ' ' B' ' 181' ' ' GLU . 47.0 t0 -64.16 -33.73 76.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.0 108.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.301 -1.529 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 8' ' ' VAL . 20.0 t-20 -60.7 -38.58 85.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.274 -0.892 . . . . 0.0 109.209 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.592 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.15 -39.69 93.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.456 -0.777 . . . . 0.0 109.534 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.54 89.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.03 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -59.87 -40.59 89.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 94.1 t -60.53 -39.91 82.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.11 -46.33 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 108.924 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.63 79.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 108.671 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -61.2 -38.77 87.75 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 108.736 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -60.44 -31.34 70.32 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.372 -0.83 . . . . 0.0 108.991 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -60.76 -39.96 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 23' ' ' ILE . 65.1 m-85 -63.45 -39.75 95.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.0 109.646 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.104 -0.998 . . . . 0.0 108.918 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -60.75 -33.63 73.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.424 -0.798 . . . . 0.0 109.162 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.08 -6.42 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.839 . . . . 0.0 109.922 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 5.4 62.86 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.999 -1.096 . . . . 0.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 20' ' ' LEU . 47.1 mt -94.25 57.72 2.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.321 . . . . 0.0 109.433 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.46 -32.21 68.12 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.82 -43.22 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.248 . . . . 0.0 109.507 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.5 mm -67.37 -46.71 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.999 -1.063 . . . . 0.0 108.86 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.58 79.37 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 76.7 t80 -58.78 -50.16 74.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -1.087 . . . . 0.0 109.77 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 48.8 m-85 -67.67 -36.16 80.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.251 -0.906 . . . . 0.0 110.198 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.1 mt -63.06 -42.3 99.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.038 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -61.03 -39.45 89.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 108.384 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -38.7 91.95 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE1' HD11 ' A' ' 34' ' ' LEU . 58.0 t80 -63.36 -44.37 95.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.55 84.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.176 -0.953 . . . . 0.0 110.191 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.34 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 110.179 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.591 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -65.52 -32.14 73.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.781 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.52 -46.05 91.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 109.735 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.76 -42.32 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 36' ' ' LEU . 88.4 mt -63.4 -36.86 85.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.421 -0.8 . . . . 0.0 109.741 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -68.16 -11.05 58.52 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.98 123.63 35.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.78 -36.43 80.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -89.79 125.89 35.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.985 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -138.7 122.85 18.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -80.79 163.92 23.11 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -55.05 -36.46 65.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.898 -1.126 . . . . 0.0 108.631 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.98 -43.88 74.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 0.0 109.699 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -66.36 -40.06 89.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.572 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 m -63.39 -44.04 95.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.333 -0.854 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.85 -34.29 75.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.519 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.38 -40.91 98.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.631 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.8 91.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.95 -45.87 92.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 110.437 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.89 -38.12 78.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.875 . . . . 0.0 109.828 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.79 -37.72 88.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.47 -39.23 79.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.002 -1.061 . . . . 0.0 109.322 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.43 -42.5 99.5 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.365 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -65.39 -44.67 86.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -51.49 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 0.0 109.229 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -37.35 83.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.55 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.25 85.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.0 t80 -66.09 -48.4 71.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.832 . . . . 0.0 109.577 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 64' ' ' GLY . 36.9 tttt -62.57 -35.35 79.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.539 -0.725 . . . . 0.0 109.318 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.96 -34.75 78.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.21 -31.81 70.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.364 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.752 HG22 ' O ' ' A' ' 63' ' ' ILE . 5.0 mt -122.87 11.89 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.62 -0.675 . . . . 0.0 109.808 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.16 -37.26 46.19 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.01 66.31 Favored Glycine 0 N--CA 1.488 2.131 0 O-C-N 121.166 -1.196 . . . . 0.0 110.197 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.47 -38.16 76.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.763 -1.433 . . . . 0.0 108.945 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -28.68 1.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.53 -31.93 73.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -61.54 -35.74 78.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.349 -0.844 . . . . 0.0 109.259 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.13 -37.65 77.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 108.974 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.78 -40.81 89.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.77 -61.11 1.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.775 . . . . 0.0 108.979 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 67.0 -18.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.576 -0.702 . . . . 0.0 109.87 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' A' ' 72' ' ' SER . 52.2 mttm -93.17 -80.74 0.37 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.334 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.8 p -67.89 -35.85 79.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 110.217 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 76' ' ' LEU . 36.5 tp -65.59 -36.27 83.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.863 -1.148 . . . . 0.0 109.53 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.441 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.4 t60 -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.142 -0.974 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.64 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.66 -40.85 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 108.599 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.438 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.0 ttt -58.3 -36.5 73.44 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.35 -32.43 71.26 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.338 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.592 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 23.2 m -56.97 -37.31 71.41 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 69.5 mt -60.54 -40.39 91.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.532 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 63' ' ' ILE . 56.1 mt -86.22 -45.32 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.157 -0.964 . . . . 0.0 111.527 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.425 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 76.5 m80 -76.11 -47.83 22.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 111.34 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -81.94 102.41 10.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.808 -1.183 . . . . 0.0 109.715 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.0 mp0 -63.66 -35.16 79.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.407 -0.808 . . . . 0.0 109.861 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.32 -47.11 87.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.262 -0.899 . . . . 0.0 109.962 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' B' ' 130' ' ' ILE . 45.0 tptt -64.29 -43.26 95.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.142 -0.974 . . . . 0.0 109.046 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.2 -37.92 89.21 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -45.18 73.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.748 . . . . 0.0 109.61 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.34 -44.17 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.161 -0.962 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -63.81 -45.04 91.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.258 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 108.902 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.33 -41.19 98.35 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' B' ' 140' ' ' MET . 92.1 m-20 -62.9 -41.02 99.28 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.429 -0.794 . . . . 0.0 109.754 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.31 -48.94 71.34 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.911 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.2 m -63.69 -46.02 87.4 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.421 -0.8 . . . . 0.0 109.138 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 92.3 mmm -63.21 -40.07 96.44 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.185 -0.947 . . . . 0.0 109.551 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -63.69 -46.92 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.01 -42.56 80.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.194 -0.941 . . . . 0.0 108.627 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.725 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.9 t80 -60.78 -41.21 95.08 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.068 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.95 -40.55 95.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.876 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.91 -40.08 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.714 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.419 ' HZ2' ' HA ' ' A' ' 104' ' ' LYS . 4.8 mmtm -63.43 -45.45 90.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.982 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 101' ' ' TYR . 52.7 mt -69.01 -36.15 77.47 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 33.8 tttp -60.26 -45.95 91.5 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.577 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.8 mt-30 -64.09 -36.73 84.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.0 tp -58.88 -32.73 69.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 69.4 tttt -59.13 -39.58 82.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.678 -0.639 . . . . 0.0 110.126 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.23 -22.81 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.264 -0.897 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.48 156.8 3.17 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.56 141.26 85.57 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.838 2.359 . . . . 0.0 112.579 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.8 m-90 -106.08 137.03 44.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -153.89 172.95 16.6 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.971 -1.081 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.35 -39.92 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.329 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -57.28 -42.4 81.59 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.013 -1.054 . . . . 0.0 108.64 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.577 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.7 tp -62.3 -36.89 83.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.457 -0.777 . . . . 0.0 108.925 178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.8 tttt -56.69 -47.34 80.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.485 -0.759 . . . . 0.0 109.857 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -66.43 -36.22 82.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.518 -0.739 . . . . 0.0 109.563 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -60.95 -40.54 93.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 110.299 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.73 -39.44 94.07 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.022 -1.049 . . . . 0.0 108.779 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.914 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.2 m95 -63.41 -39.18 93.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -42.37 96.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.751 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.31 -40.16 93.15 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.271 -0.893 . . . . 0.0 109.701 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.0 110.081 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.23 -42.38 96.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.044 -1.035 . . . . 0.0 110.064 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.58 -39.61 94.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 110.179 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 151' ' ' ILE . 14.5 m-85 -64.32 -43.95 93.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.977 . . . . 0.0 110.179 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -62.03 -36.99 83.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 87.5 m -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.97 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.8 mt -59.03 -43.82 89.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.104 -0.997 . . . . 0.0 110.253 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 147' ' ' LEU . 80.5 mt -69.47 -45.32 69.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.591 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -67.12 -45.68 76.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.827 . . . . 0.0 110.928 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 134' ' ' LEU . 93.2 mt -62.18 -30.54 71.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 111.637 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -137.57 55.28 1.8 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 111.482 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -62.49 -37.85 87.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.123 . . . . 0.0 109.341 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.01 -29.66 68.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.553 -0.717 . . . . 0.0 111.339 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -91.87 0.83 57.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.744 -1.223 . . . . 0.0 110.426 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.06 126.32 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.332 -0.855 . . . . 0.0 109.276 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.86 160.0 33.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.0 109.436 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -65.01 -38.3 90.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.182 -0.949 . . . . 0.0 109.398 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.0 m -64.79 -45.4 86.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.9 p -65.96 -34.15 77.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.234 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.604 HG23 HD22 ' A' ' 132' ' ' LEU . 47.6 m -63.6 -40.69 97.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.82 . . . . 0.0 109.322 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.17 -39.11 78.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.87 -41.92 98.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 132' ' ' LEU . 89.6 mt -67.08 -41.24 86.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.396 -0.815 . . . . 0.0 109.73 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.03 -37.0 81.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 109.337 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.17 -40.39 95.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.852 . . . . 0.0 108.852 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.6 mtt180 -61.39 -42.09 98.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 108.917 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.4 mt -64.98 -43.04 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.586 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.7 mmtt -61.13 -38.72 87.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.658 -0.651 . . . . 0.0 109.579 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.844 ' OH ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -57.91 -43.8 86.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.96 -40.28 91.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 108.677 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.0 -43.71 91.54 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 0.0 109.485 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.484 ' CG2' HG21 ' B' ' 166' ' ' ILE . 86.2 mt -69.32 -49.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.893 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.278 -0.889 . . . . 0.0 110.841 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 1.074 HD23 HD11 ' B' ' 175' ' ' LEU . 31.5 tp -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.627 ' HB2' HD23 ' B' ' 175' ' ' LEU . 37.3 t -65.07 -45.44 85.29 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.627 -0.67 . . . . 0.0 110.116 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -60.43 -38.58 84.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.447 -0.783 . . . . 0.0 110.105 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.434 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.8 mt -60.03 -35.67 75.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 0.0 108.968 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -29.4 69.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.341 -0.85 . . . . 0.0 109.886 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -78.67 -16.02 57.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.129 -0.982 . . . . 0.0 109.289 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.33 78.15 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.64 -28.84 61.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.535 -0.979 . . . . 0.0 109.816 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.434 ' HB ' HD23 ' A' ' 161' ' ' LEU . 17.2 mm -102.11 130.8 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 109.015 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.608 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ILE . . . . . 0.493 HG22 ' OD1' ' B' ' 129' ' ' ASN . 76.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ASN . . . . . 0.493 ' OD1' HG22 ' B' ' 128' ' ' ILE . 37.9 m-20 -78.0 20.24 0.38 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 130' ' ' ILE . . . . . 0.64 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -65.07 -41.86 93.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -71.69 -41.76 68.26 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -66.8 -46.75 74.23 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.64 0.733 . . . . 0.0 109.38 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.719 0.771 . . . . 0.0 109.004 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 140' ' ' MET . . . . . 0.58 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.9 mtp . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 122.075 0.941 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.68 -32.59 69.26 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 108.507 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.92 -34.44 71.72 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.332 -0.855 . . . . 0.0 108.814 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 143' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' B' ' 143' ' ' LEU . 2.6 mm? -60.34 -34.38 73.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 108.578 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.55 -32.28 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.025 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.5 -38.92 78.65 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -59.7 -35.81 75.27 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.48 84.98 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.81 -39.68 71.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.27 . . . . 0.0 107.8 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.4 tt0 -61.65 -33.39 73.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 150' ' ' LEU . . . . . 0.71 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.8 tt -54.93 -43.35 73.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.58 -40.72 97.79 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.392 -0.817 . . . . 0.0 108.912 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 152' ' ' GLU . . . . . 0.554 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.0 tm-20 -62.68 -39.16 93.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.489 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.17 -50.52 76.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.354 -0.841 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 154' ' ' LEU . . . . . 0.844 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.75 -33.27 75.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.154 -0.966 . . . . 0.0 109.081 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.3 93.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.8 mtp -63.92 -38.97 93.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.074 -1.016 . . . . 0.0 109.478 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 157' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.5 t-20 -60.75 -38.68 85.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.396 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 158' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 5.0 m-20 166.48 107.17 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.46 -0.775 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.07 -35.01 70.75 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.098 -1.002 . . . . 0.0 108.787 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 51.7 p -83.5 0.71 45.24 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.59 98.32 0.07 OUTLIER Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -119.97 154.66 34.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.975 . . . . 0.0 109.177 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 163' ' ' LEU . . . . . 0.665 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -54.61 -32.89 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.288 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.28 -33.1 70.65 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.277 -0.889 . . . . 0.0 109.434 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.31 -24.5 57.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 109.553 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 166' ' ' ILE . . . . . 0.601 ' O ' ' N ' ' B' ' 168' ' ' ASP . 38.1 mt -101.21 132.68 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.15 -0.969 . . . . 0.0 108.565 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -58.5 70.25 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.412 -0.805 . . . . 0.0 110.357 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 168' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.6 t0 -60.87 -36.9 80.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.058 -1.026 . . . . 0.0 111.017 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.63 72.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.0 111.893 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -43.57 65.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.674 -1.266 . . . . 0.0 109.785 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.85 -38.22 89.95 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 110.146 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 172' ' ' ASP . . . . . 0.586 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 94.1 m-20 -61.01 -41.17 96.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 110.593 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.92 92.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.092 -1.005 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.42 -35.9 82.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.155 -0.966 . . . . 0.0 109.972 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 175' ' ' LEU . . . . . 1.074 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.89 -42.56 99.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 110.574 -179.263 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.58 -40.25 96.47 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.992 -1.067 . . . . 0.0 109.729 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.61 71.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.06 -1.025 . . . . 0.0 108.986 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.3 -32.22 73.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.879 . . . . 0.0 109.409 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 179' ' ' ALA . . . . . 0.457 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.11 -44.32 83.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.34 -39.3 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.837 . . . . 0.0 109.067 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 181' ' ' GLU . . . . . 0.481 ' OE1' ' OD1' ' B' ' 182' ' ' ASP . 3.8 tm-20 -72.95 -42.67 63.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 182' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 67.9 m-20 -70.39 -34.54 72.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.56 -0.713 . . . . 0.0 110.183 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.421 -179.091 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.72 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 109.415 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -60.99 -32.1 71.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.182 -0.949 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -60.7 -37.77 82.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.896 . . . . 0.0 109.341 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.893 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.58 -40.26 96.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.855 . . . . 0.0 109.256 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.278 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -59.96 -44.34 94.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.344 -0.848 . . . . 0.0 109.19 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.58 -42.89 95.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.46 -46.11 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.0 109.48 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.92 85.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 108.964 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -61.84 -39.47 91.94 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.44 -0.787 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 109.043 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.42 -33.04 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.409 -0.807 . . . . 0.0 109.475 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.0 -42.72 98.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 23' ' ' ILE . 82.4 m-85 -64.12 -37.43 87.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.273 -0.892 . . . . 0.0 109.719 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.0 -42.32 98.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.06 -1.025 . . . . 0.0 108.874 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.25 -30.83 70.69 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.25 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.521 -0.737 . . . . 0.0 109.77 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.07 4.88 62.79 Favored Glycine 0 N--CA 1.493 2.452 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.441 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' H ' HG12 ' A' ' 18' ' ' VAL . 81.6 mt -96.9 62.33 1.87 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.263 . . . . 0.0 109.135 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.95 -32.87 76.5 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 ' CE ' ' A' ' 79' ' ' MET . 76.9 mt -57.48 -43.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.995 -1.297 . . . . 0.0 109.634 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG21 ' CE1' ' A' ' 15' ' ' PHE . 34.0 mm -67.02 -49.12 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.03 -1.044 . . . . 0.0 108.824 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.35 79.94 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 80.2 t80 -58.59 -48.63 80.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.417 -1.049 . . . . 0.0 109.959 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.1 m-85 -67.57 -36.56 81.16 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.146 -0.971 . . . . 0.0 110.286 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.46 -41.61 98.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 0.0 109.951 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.33 -39.74 94.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.123 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.24 -39.54 92.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.403 -0.81 . . . . 0.0 109.45 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.5 t80 -63.38 -45.66 90.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.398 -0.814 . . . . 0.0 110.042 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.53 81.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.045 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.86 -51.15 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 110.002 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -67.01 -30.41 70.5 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.893 HD23 ' HB2' ' A' ' 5' ' ' ALA . 5.6 tp -60.44 -44.39 95.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.239 0.543 . . . . 0.0 109.555 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.07 -44.75 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 109.329 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -37.45 87.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.476 -0.765 . . . . 0.0 109.795 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -77.0 1.3 18.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.468 -0.77 . . . . 0.0 109.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -93.5 126.27 38.56 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.176 -0.953 . . . . 0.0 109.246 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.0 -36.29 81.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.0 109.862 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.87 125.67 38.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 110.077 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -137.54 142.57 41.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.372 -0.83 . . . . 0.0 109.568 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.21 162.64 16.29 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -53.58 -35.4 60.78 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.913 -1.117 . . . . 0.0 108.716 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.54 -43.04 73.78 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.304 -0.873 . . . . 0.0 109.931 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.1 mtp -70.44 -41.33 72.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.823 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -62.87 -44.28 96.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 0.0 109.453 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.95 73.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.349 -0.845 . . . . 0.0 109.694 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.21 -39.34 92.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.717 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.29 95.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.0 109.466 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.8 -45.99 92.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 110.352 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.22 -37.62 77.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.621 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.26 -37.87 88.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.58 -39.66 80.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.966 -1.084 . . . . 0.0 109.365 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.01 -42.21 98.91 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.424 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.8 m -65.15 -45.96 82.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.331 -0.855 . . . . 0.0 109.917 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.31 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.308 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.31 -39.16 93.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.59 88.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.236 -0.915 . . . . 0.0 109.007 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.5 t80 -67.61 -48.84 65.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.419 -0.801 . . . . 0.0 109.765 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 50.8 tttt -63.51 -39.81 95.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.0 109.176 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -63.01 -33.81 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -31.28 68.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.528 -0.733 . . . . 0.0 109.241 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 63' ' ' ILE . 77.3 mt -124.16 9.53 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.542 -0.723 . . . . 0.0 109.892 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.17 -37.62 64.73 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.42 1.38 64.36 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.17 -37.86 75.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.298 . . . . 0.0 109.056 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -134.86 -29.33 1.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.17 -30.78 71.86 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.65 81.18 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.02 -43.65 82.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 108.361 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.98 -39.43 93.46 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -161.41 96.91 1.08 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.19 6.79 48.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 109.604 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -94.59 -75.05 0.52 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.208 -0.932 . . . . 0.0 109.899 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.6 p -66.99 -38.48 86.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.397 -0.814 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.554 HD11 HG23 ' A' ' 63' ' ' ILE . 32.2 tp -67.58 -35.39 78.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.616 -1.302 . . . . 0.0 109.638 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.3 t60 -60.14 -45.12 94.12 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.624 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.06 -42.7 96.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 108.306 179.354 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.732 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.4 ttt -58.87 -36.71 75.05 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.58 -32.92 71.99 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -56.67 -37.74 71.24 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.2 mt -60.41 -40.75 92.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.541 -0.724 . . . . 0.0 109.67 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 25' ' ' TYR . 83.0 mt -85.97 -45.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 111.294 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -72.84 -46.52 52.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 111.097 -178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -81.29 100.88 9.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.868 -1.145 . . . . 0.0 109.416 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.42 -37.07 86.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 0.0 110.277 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.81 -47.46 83.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 110.343 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -65.78 -41.88 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.381 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.28 -37.81 88.7 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.388 -0.82 . . . . 0.0 108.91 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -44.86 68.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.469 -0.769 . . . . 0.0 109.597 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.62 -45.9 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 0.0 109.884 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -64.17 -43.61 94.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.095 -1.003 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.35 -41.63 98.75 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.229 -0.919 . . . . 0.0 108.674 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.2 tp -65.68 -42.28 91.45 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.2 m120 -62.61 -41.63 99.1 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.422 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -65.67 -49.23 69.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.971 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.525 ' OG1' HD11 ' A' ' 131' ' ' ILE . 54.2 m -63.3 -44.96 93.54 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.384 -0.823 . . . . 0.0 109.141 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.7 mmm -63.74 -38.14 90.01 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.305 -0.872 . . . . 0.0 109.628 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.0 m -62.18 -46.26 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.93 -46.73 73.87 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -60.44 -42.5 96.25 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.685 -0.634 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' B' ' 150' ' ' LEU . 55.1 t-20 -60.13 -39.3 85.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.47 -40.02 96.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 110.094 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 121' ' ' LEU . 47.9 mmtt -62.76 -45.09 94.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.093 -1.005 . . . . 0.0 109.888 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.989 HD22 HD11 ' B' ' 150' ' ' LEU . 11.0 mp -67.29 -36.58 81.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.019 -1.05 . . . . 0.0 108.849 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.2 tttp -60.89 -44.99 96.35 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.6 mt-30 -62.3 -36.65 82.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -57.75 -32.52 67.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -59.22 -41.89 89.7 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.741 -0.599 . . . . 0.0 109.921 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.2 m-20 -167.46 -5.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.917 . . . . 0.0 111.048 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -65.37 156.67 48.11 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.95 137.48 62.7 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.782 2.321 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.438 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.03 135.1 48.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 109.087 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.02 172.68 17.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.02 -1.05 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.56 -38.8 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.71 -0.619 . . . . 0.0 109.46 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.63 -42.49 75.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 108.792 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.45 -35.96 80.92 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.856 . . . . 0.0 108.975 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 158' ' ' LEU . 78.2 tttt -57.48 -47.22 82.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.46 -0.775 . . . . 0.0 110.042 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -67.04 -39.44 86.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 12.4 m -63.04 -39.51 94.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.0 109.989 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.6 mt -61.84 -41.18 97.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.177 -0.952 . . . . 0.0 109.474 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.864 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.0 m95 -62.26 -37.05 83.95 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.316 -0.865 . . . . 0.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -41.97 92.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.404 -0.81 . . . . 0.0 109.636 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -40.76 96.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.666 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.58 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -56.92 -42.4 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.872 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.18 -40.49 96.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.082 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.09 -40.63 94.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.328 -0.858 . . . . 0.0 110.478 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' A' ' 151' ' ' ILE . 32.4 m-85 -64.3 -44.23 92.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.954 -1.091 . . . . 0.0 110.178 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t -61.83 -36.55 81.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 0.0 109.683 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.58 -43.06 85.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.892 . . . . 0.0 109.787 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.579 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 110.202 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.868 HD21 HD12 ' A' ' 147' ' ' LEU . 88.6 mt -68.46 -45.13 73.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.056 -1.027 . . . . 0.0 110.192 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.475 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 16.9 t60 -67.32 -42.94 82.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.276 -0.89 . . . . 0.0 111.035 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 134' ' ' LEU . 86.7 mt -61.12 -31.9 71.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 111.594 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -140.47 57.13 1.59 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.759 -1.213 . . . . 0.0 111.296 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.69 -37.56 84.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.826 -1.172 . . . . 0.0 109.061 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.27 -28.57 68.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.495 -0.753 . . . . 0.0 111.058 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.44 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -91.76 -0.62 57.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.843 -1.16 . . . . 0.0 110.282 -178.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.93 125.9 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.39 -0.819 . . . . 0.0 109.158 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 159.91 33.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -40.54 97.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.343 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.3 m -64.92 -44.5 89.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 109.4 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 m -62.56 -38.82 91.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.323 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.699 HG23 HD22 ' A' ' 132' ' ' LEU . 47.5 m -61.67 -39.51 91.66 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.372 -0.83 . . . . 0.0 109.431 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -57.89 -38.55 75.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.862 . . . . 0.0 109.675 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.487 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.0 m -61.84 -41.62 98.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 0.0 109.214 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.868 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -66.58 -41.23 88.88 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.369 -0.832 . . . . 0.0 109.521 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.93 -36.66 79.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.471 -0.768 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 18.7 tttp -61.78 -41.8 98.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 109.074 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.487 ' NH1' ' O ' ' A' ' 146' ' ' SER . 66.7 mtt85 -62.05 -41.82 98.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 108.977 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 128' ' ' PHE . 83.5 mt -65.38 -43.03 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.587 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.1 mmtt -61.22 -40.49 94.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.651 -0.656 . . . . 0.0 109.699 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.681 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 47.3 t80 -57.32 -43.6 83.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.395 -0.816 . . . . 0.0 108.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.1 m -65.3 -40.8 94.25 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.292 -0.88 . . . . 0.0 108.831 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.352 -0.843 . . . . 0.0 109.618 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.74 -50.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.425 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.8 m-85 -66.81 -35.64 80.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 110.495 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.864 HD21 ' NE1' ' A' ' 122' ' ' TRP . 38.8 tp -59.64 -38.76 82.26 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.009 -1.057 . . . . 0.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.8 t -66.61 -45.01 80.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.248 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.69 -38.46 85.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.575 -0.703 . . . . 0.0 109.364 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.7 mt -64.66 -42.33 95.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.334 -0.854 . . . . 0.0 109.662 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.547 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.43 -25.18 62.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.429 -0.794 . . . . 0.0 109.672 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.4 mtpt -83.16 -3.46 57.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.301 -0.874 . . . . 0.0 109.776 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.75 13.08 83.92 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -74.97 -29.63 60.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.281 -1.129 . . . . 0.0 109.743 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -107.04 133.18 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.228 -0.92 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.979 -1.456 . . . . 0.0 109.55 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.539 ' C ' ' H ' ' B' ' 130' ' ' ILE . 83.6 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.499 ' N ' HG22 ' B' ' 128' ' ' ILE . 70.0 m-20 -75.35 19.79 0.17 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -65.22 -41.89 92.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.0 m-20 -74.57 -41.7 60.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -66.87 -40.34 87.79 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.499 0.666 . . . . 0.0 109.957 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.03 -48.69 79.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 110.452 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.5 ' O ' ' OD1' ' B' ' 135' ' ' ASP . 50.0 mt-30 -74.69 -41.36 60.38 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.555 -0.716 . . . . 0.0 110.224 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' B' ' 134' ' ' GLN . 95.6 m-20 -140.27 -120.37 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 109.896 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 87.1 mtp -120.08 -174.01 2.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.613 -0.679 . . . . 0.0 109.772 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -53.04 -26.33 15.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.352 -0.842 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -49.08 148.66 2.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.616 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -89.4 155.77 19.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.413 -0.804 . . . . 0.0 109.399 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.484 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm -57.05 -38.77 73.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.011 -1.055 . . . . 0.0 108.899 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 141' ' ' LEU . 92.1 mt -61.87 -34.77 76.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.279 -0.888 . . . . 0.0 108.96 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -60.3 -36.85 78.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.27 -33.65 67.84 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.77 -30.13 47.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.4 -38.16 73.84 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' GLN . . . . . 0.434 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 92.1 mt-30 -59.66 -36.17 75.88 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -33.5 84.98 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.47 -38.73 72.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.063 -1.257 . . . . 0.0 107.968 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.6 tt0 -60.4 -34.72 74.33 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 105' ' ' LEU . 6.8 tt -55.79 -42.96 76.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 108.743 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -58.7 -41.43 86.29 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.25 -37.97 87.46 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.448 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.1 t -65.04 -51.1 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.8 mm? -66.94 -33.26 75.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.058 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.37 96.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.847 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.6 mtp -65.17 -39.96 93.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.019 -1.051 . . . . 0.0 109.492 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.03 -39.18 88.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 0.0 109.359 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 1.0 OUTLIER 170.27 106.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.468 -0.77 . . . . 0.0 109.131 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.96 -36.11 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.111 -0.993 . . . . 0.0 108.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -84.58 6.37 24.11 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.77 97.93 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -118.63 152.95 35.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.98 . . . . 0.0 109.142 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.661 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -55.31 -33.41 63.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.398 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.31 -32.6 70.22 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -75.3 -23.01 57.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -0.896 . . . . 0.0 109.621 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.2 mt -101.88 135.51 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 108.896 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 89.1 p -59.77 69.17 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.42 -0.8 . . . . 0.0 110.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.4 t0 -64.58 -38.38 90.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.84 77.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.042 -1.036 . . . . 0.0 111.395 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -43.11 67.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.889 -1.132 . . . . 0.0 109.823 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.16 -38.16 90.07 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.523 -0.736 . . . . 0.0 110.228 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.587 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.1 m-20 -60.64 -43.12 97.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.506 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.74 81.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.975 -1.078 . . . . 0.0 109.849 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.88 -36.74 85.33 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.141 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 158' ' ' LEU . 20.9 tp -66.47 -35.79 81.16 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.941 -1.099 . . . . 0.0 110.693 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 27.6 m-20 -61.45 -37.33 83.17 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 120.945 -1.097 . . . . 0.0 108.505 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.73 73.1 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.547 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.8 mt -66.09 -35.44 80.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.929 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.84 -40.92 73.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.977 -1.077 . . . . 0.0 108.394 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -61.63 -34.7 76.13 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.546 -0.721 . . . . 0.0 109.116 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.69 -40.41 94.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.493 -0.754 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -93.78 -17.65 22.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.053 -1.03 . . . . 0.0 110.847 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -94.7 170.72 9.25 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.413 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.443 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.33 118.96 38.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.729 HD12 ' N ' ' B' ' 185' ' ' LEU . 7.1 mp -91.66 143.21 27.63 Favored Pre-proline 0 C--N 1.299 -1.607 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.217 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo . . . . . 0 C--N 1.309 -1.55 0 C-N-CA 122.388 2.059 . . . . 0.0 112.154 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.71 78.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.918 . . . . 0.0 109.459 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.99 -32.74 72.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -60.67 -38.47 85.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.189 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.43 -0.794 . . . . 0.0 109.47 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.95 95.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -59.97 -39.3 85.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 108.823 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.38 -42.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.21 -47.33 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.29 83.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 108.786 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -62.41 -38.98 91.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.435 -0.79 . . . . 0.0 109.135 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.04 91.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.888 . . . . 0.0 109.078 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.84 -33.3 73.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 0.0 109.694 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.279 -0.888 . . . . 0.0 109.406 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -63.28 -43.14 98.76 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.953 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.56 -40.8 96.0 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.4 -30.83 71.49 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -87.19 -4.39 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.467 -0.771 . . . . 0.0 109.613 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.39 4.96 62.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -101.55 62.97 0.94 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.105 -1.232 . . . . 0.0 109.394 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.7 92.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.5 mt -57.9 -42.94 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.08 -1.247 . . . . 0.0 109.843 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -65.92 -47.64 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.95 -1.094 . . . . 0.0 108.912 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.91 -32.85 83.47 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 72.5 t80 -58.44 -47.09 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.416 -1.049 . . . . 0.0 109.961 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 29.7 m-85 -66.37 -34.68 78.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.942 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.12 -36.65 84.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.042 -1.036 . . . . 0.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.58 HE22 HG21 ' A' ' 55' ' ' THR . 94.8 mt-30 -59.68 -41.52 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.976 . . . . 0.0 109.748 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 29' ' ' LEU . 7.0 mp -65.72 -39.63 91.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.97 -1.081 . . . . 0.0 109.117 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 23.2 t80 -64.93 -44.07 90.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 110.318 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.54 87.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.034 -1.041 . . . . 0.0 110.11 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.42 -46.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.458 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.36 -32.24 73.61 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.09 -46.05 92.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.52 -45.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 0.0 109.481 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 36' ' ' LEU . 87.6 mt -64.43 -37.45 87.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.346 -0.846 . . . . 0.0 109.583 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.0 p -68.24 -13.82 62.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -86.79 123.83 32.37 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.479 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.829 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.11 125.72 34.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.0 110.02 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -138.61 143.53 39.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.299 -0.876 . . . . 0.0 109.683 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.13 159.34 20.17 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -52.93 -34.79 56.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.86 -1.15 . . . . 0.0 108.505 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.11 -42.25 72.91 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.296 -0.878 . . . . 0.0 109.908 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.3 mtp -70.37 -41.1 73.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.044 -1.035 . . . . 0.0 109.776 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.1 m -61.92 -42.44 99.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 0.0 109.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -34.23 77.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.369 -0.832 . . . . 0.0 109.793 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 109.601 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.02 88.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 m -62.28 -45.56 92.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 110.416 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.36 -38.1 73.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.731 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.28 -39.65 95.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 mt -58.3 -38.98 78.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.286 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.82 -42.36 98.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.214 -0.929 . . . . 0.0 108.945 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.58 HG21 HE22 ' A' ' 28' ' ' GLN . 81.7 m -64.9 -45.91 83.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.467 -0.771 . . . . 0.0 109.805 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.22 -47.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.507 -0.746 . . . . 0.0 109.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.67 -38.33 90.61 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.055 -1.028 . . . . 0.0 109.054 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -41.42 74.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 108.887 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 64.0 t80 -66.15 -48.93 69.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.42 -0.8 . . . . 0.0 109.642 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.3 tttt -65.51 -41.62 92.99 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.299 -0.876 . . . . 0.0 109.077 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -63.07 -33.77 76.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.51 -31.15 67.63 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.664 HG22 ' O ' ' A' ' 63' ' ' ILE . 78.7 mt -124.24 8.15 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.634 -0.666 . . . . 0.0 109.912 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.25 -37.98 60.68 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 1.43 64.35 Favored Glycine 0 N--CA 1.489 2.213 0 O-C-N 121.199 -1.177 . . . . 0.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.15 -38.7 77.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.894 -1.356 . . . . 0.0 108.95 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -29.14 1.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.16 -30.7 71.8 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.35 81.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.379 -0.826 . . . . 0.0 109.266 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -43.51 81.98 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.35 -39.26 92.12 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -161.29 97.6 1.12 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.87 7.23 46.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.537 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -95.35 -76.05 0.5 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.3 p -67.23 -39.06 86.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.39 -0.818 . . . . 0.0 111.194 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 63' ' ' ILE . 35.8 tp -67.35 -34.97 78.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.551 -1.343 . . . . 0.0 109.619 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.7 t60 -59.96 -45.18 93.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.59 -43.24 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.046 -1.034 . . . . 0.0 108.355 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.714 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.3 ttt -58.77 -36.73 74.88 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.589 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.74 -32.76 72.03 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.536 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.589 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 28.0 m -57.01 -37.47 71.75 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.8 mt -60.17 -42.04 94.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.519 -0.738 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.563 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.9 mt -84.09 -45.4 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.937 . . . . 0.0 111.209 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.434 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 76.7 m80 -72.49 -46.22 55.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 111.214 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.27 99.92 9.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.867 -1.146 . . . . 0.0 109.705 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.434 ' OE1' ' O ' ' A' ' 84' ' ' HIS . 4.1 mp0 -64.46 -36.48 84.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -47.46 83.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.237 -0.915 . . . . 0.0 110.112 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -66.38 -42.84 87.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.0 109.096 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.16 -37.96 89.27 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.12 72.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.37 -45.39 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.222 -0.924 . . . . 0.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.488 ' CZ ' ' OE1' ' B' ' 134' ' ' GLN . 84.7 t80 -62.63 -44.82 95.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.89 . . . . 0.0 109.069 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.7 -41.34 99.08 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.36 -39.91 94.68 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.765 ' OD1' HD12 ' B' ' 143' ' ' LEU . 3.7 t30 -62.02 -46.05 90.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.401 -0.812 . . . . 0.0 109.526 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.52 -48.1 78.94 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.339 -0.851 . . . . 0.0 109.12 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.654 ' OG1' HD11 ' A' ' 131' ' ' ILE . 38.8 m -63.04 -45.67 91.19 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.394 -0.816 . . . . 0.0 109.167 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.413 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.8 mmm -64.69 -39.4 93.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.192 -0.942 . . . . 0.0 109.415 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 m -62.42 -46.63 87.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.265 -0.897 . . . . 0.0 109.206 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD21 ' SG ' ' A' ' 124' ' ' CYS . 59.0 tp -66.65 -45.12 80.02 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.755 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.67 -41.19 97.21 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.577 -0.702 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.93 -39.91 93.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 110.271 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.46 -40.74 96.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 110.058 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 42.3 mmtt -64.04 -45.28 89.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.028 -1.045 . . . . 0.0 109.569 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TYR . 45.6 mt -67.82 -36.66 80.78 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.59 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 29.8 tttp -61.29 -45.53 94.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.4 -36.61 82.88 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.79 -33.01 68.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.497 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 63.4 tttt -59.24 -41.27 88.36 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.686 -0.634 . . . . 0.0 109.945 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.8 m-20 -167.56 -5.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.171 -0.956 . . . . 0.0 111.225 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.5 157.67 49.85 Favored Glycine 0 N--CA 1.493 2.499 0 O-C-N 120.627 -1.296 . . . . 0.0 110.039 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.45 137.67 61.31 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.779 2.319 . . . . 0.0 112.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.447 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.22 136.33 46.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.23 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -157.3 171.97 19.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.984 . . . . 0.0 110.327 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.56 -38.73 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 59.9 ttp -54.86 -42.54 72.13 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.827 -1.17 . . . . 0.0 108.711 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.29 -35.54 79.35 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.282 -0.887 . . . . 0.0 108.994 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 158' ' ' LEU . 72.7 tttt -57.79 -47.28 83.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -67.09 -39.81 86.85 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.419 -0.8 . . . . 0.0 109.969 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.9 t -63.79 -38.97 93.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.246 -0.909 . . . . 0.0 109.819 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.7 mt -61.46 -41.93 97.98 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.202 -0.936 . . . . 0.0 109.406 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.866 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.9 m95 -62.43 -37.36 85.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 108.845 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.37 92.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.422 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.561 ' SG ' HD21 ' A' ' 100' ' ' LEU . 56.5 m -63.26 -39.88 95.85 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.265 -0.897 . . . . 0.0 109.69 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 90.8 mt -57.96 -42.18 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.907 . . . . 0.0 110.039 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.39 -40.29 90.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 109.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.73 -40.66 95.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.465 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.5 m-85 -64.28 -43.83 93.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.941 -1.1 . . . . 0.0 110.141 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 m -62.17 -36.38 81.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 110.034 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.686 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.88 -42.13 90.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.153 -0.967 . . . . 0.0 109.803 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.7 mt -59.57 -44.54 93.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.09 -1.006 . . . . 0.0 110.047 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 147' ' ' LEU . 93.0 mt -72.04 -44.88 62.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.136 -0.978 . . . . 0.0 110.361 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -67.78 -46.09 73.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 110.972 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.686 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.6 mt -63.82 -32.35 73.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.94 . . . . 0.0 111.411 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -129.57 52.64 1.97 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.022 -1.049 . . . . 0.0 111.035 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -62.47 -38.27 89.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 109.336 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.499 -0.751 . . . . 0.0 111.558 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -91.94 1.1 57.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.673 -1.267 . . . . 0.0 110.595 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.434 HD13 HD23 ' A' ' 132' ' ' LEU . 79.9 mt -118.29 128.04 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.344 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.2 m -70.74 159.84 33.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.281 -0.887 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.23 -40.25 96.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.6 m -64.63 -44.97 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.0 109.634 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 m -62.62 -38.65 91.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.0 109.438 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.766 HG23 HD22 ' A' ' 132' ' ' LEU . 55.9 m -61.84 -40.18 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.455 -0.778 . . . . 0.0 109.575 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.94 -38.77 76.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 109.904 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.89 -42.54 99.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 132' ' ' LEU . 85.8 mt -67.03 -40.96 87.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.86 -36.94 80.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.533 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.26 -39.82 94.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.076 -1.015 . . . . 0.0 108.916 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.413 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 91.2 mtt180 -61.4 -41.91 97.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 109.124 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.8 mt -64.66 -40.53 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.591 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.3 mmtt -60.8 -40.35 92.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.691 -0.631 . . . . 0.0 109.738 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.661 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.8 t80 -56.69 -43.63 80.66 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.408 -0.807 . . . . 0.0 108.956 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -40.59 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -58.57 -44.0 89.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.64 -50.59 48.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.225 -0.922 . . . . 0.0 110.733 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.9 m-85 -66.61 -35.62 80.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 110.472 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.866 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.9 tp -59.8 -38.13 81.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 108.444 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -67.12 -44.73 79.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -61.28 -38.47 86.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.459 -0.775 . . . . 0.0 109.384 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.5 mt -64.39 -42.13 96.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 109.725 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.601 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.72 -24.63 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.706 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.5 mtpt -83.87 -4.07 58.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.296 -0.877 . . . . 0.0 109.798 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.75 12.39 84.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.91 -29.65 61.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.2 mm -106.92 132.12 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.194 -0.941 . . . . 0.0 109.102 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 CA-C-O 118.029 -1.429 . . . . 0.0 109.575 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.55 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.446 ' N ' HG22 ' B' ' 128' ' ' ILE . 73.5 m-20 -75.44 19.92 0.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.66 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.75 -42.48 96.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.558 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.5 m-20 -75.63 -43.18 49.2 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.889 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -65.66 -39.36 91.27 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.417 0.627 . . . . 0.0 110.089 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -48.25 81.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.431 -0.793 . . . . 0.0 110.124 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 92' ' ' TYR . 52.7 mt-30 -72.13 -39.12 69.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.701 -0.625 . . . . 0.0 110.011 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 131' ' ' ASP . 49.6 t0 -173.19 165.39 4.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 109.402 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.459 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.7 mtt -77.88 93.02 4.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.06 -1.025 . . . . 0.0 109.092 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.524 ' OE1' HD11 ' B' ' 143' ' ' LEU . 24.9 mt-30 -136.13 160.25 39.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.855 . . . . 0.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -91.24 -74.35 0.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.217 -0.927 . . . . 0.0 109.5 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.98 150.03 43.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.371 -0.831 . . . . 0.0 109.753 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 84.5 mtp -60.32 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 109.16 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.568 HD22 ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -59.69 -33.18 71.25 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.173 -0.954 . . . . 0.0 108.513 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.01 -36.36 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.495 -0.753 . . . . 0.0 108.97 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.765 HD12 ' OD1' ' A' ' 95' ' ' ASN . 3.6 mm? -60.16 -37.85 81.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.089 -1.007 . . . . 0.0 108.673 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.85 -30.08 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.24 -37.53 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -59.67 -36.29 76.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.6 -32.51 81.65 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -55.94 -39.27 71.46 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.033 -1.275 . . . . 0.0 107.984 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 75.3 tt0 -60.6 -33.97 73.52 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.682 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.1 tt -54.89 -44.51 74.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.53 -39.46 91.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.375 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.557 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 10.8 tm-20 -61.54 -38.38 87.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.779 . . . . 0.0 109.821 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 109' ' ' LYS . 28.9 t -63.25 -50.33 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.076 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.661 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.5 mm? -66.57 -33.15 75.03 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.222 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.11 99.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.323 -0.861 . . . . 0.0 109.665 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.557 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 41.7 mtt -66.63 -38.7 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.945 -1.097 . . . . 0.0 109.699 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.73 -38.85 86.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.22 -0.925 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 158' ' ' ASN . 1.3 p30 170.86 106.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.508 -0.745 . . . . 0.0 109.03 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.83 -35.91 71.55 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.023 -1.048 . . . . 0.0 109.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.6 p -84.13 3.37 35.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.95 97.9 0.07 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -121.97 153.45 38.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.93 . . . . 0.0 109.018 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.707 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.6 mp -55.32 -33.65 63.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 109.48 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.41 -32.33 70.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.24 -0.913 . . . . 0.0 109.599 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.27 -23.62 57.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.354 -0.841 . . . . 0.0 109.791 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 35.9 mt -102.6 134.29 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.943 . . . . 0.0 108.85 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 71.4 m -58.61 71.94 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.482 -0.761 . . . . 0.0 110.226 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.9 t0 -64.9 -39.07 92.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.47 79.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 0.0 111.282 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' GLU . . . . . 0.442 ' OE2' ' CD ' ' B' ' 174' ' ' GLU . 1.3 tm-20 -71.25 -43.39 67.34 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.876 -1.14 . . . . 0.0 109.838 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 171' ' ' LEU . 96.5 mt -63.15 -38.04 89.59 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.527 -0.733 . . . . 0.0 110.123 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.591 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.3 m-20 -60.22 -42.64 95.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 0.0 110.587 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.62 82.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.002 -1.061 . . . . 0.0 110.052 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.62 -36.5 84.45 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.44 -35.48 80.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.981 -1.074 . . . . 0.0 110.691 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 25.0 m-20 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.393 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.601 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.8 mt -66.0 -35.35 80.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.871 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.98 -41.32 71.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.97 -1.081 . . . . 0.0 108.255 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -61.75 -33.64 74.41 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -61.19 -40.59 94.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.443 -0.785 . . . . 0.0 110.394 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.8 -17.47 23.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 110.465 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -95.77 171.12 8.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.304 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.53 ' C ' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.34 120.06 41.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.367 -0.833 . . . . 0.0 109.194 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.781 ' N ' HD23 ' B' ' 185' ' ' LEU . 0.1 OUTLIER -91.43 142.66 27.18 Favored Pre-proline 0 C--N 1.3 -1.571 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.058 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 C--N 1.305 -1.723 0 C-N-CA 122.605 2.203 . . . . 0.0 112.132 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.332 0.587 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.8 78.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.338 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -60.41 -36.3 77.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -0.939 . . . . 0.0 109.212 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.7 m-20 -60.45 -36.53 78.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.319 -0.863 . . . . 0.0 109.354 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.53 -41.08 96.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.848 . . . . 0.0 109.518 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 -48.13 61.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.846 . . . . 0.0 109.974 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 50.2 ttt-85 -59.88 -41.97 92.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.954 . . . . 0.0 109.478 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 4' ' ' ASN . 79.4 t -60.85 -41.86 90.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.599 -0.688 . . . . 0.0 109.145 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.4 t -65.65 -47.18 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.894 . . . . 0.0 109.476 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.13 84.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.027 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 86.3 m -62.54 -38.69 91.0 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.384 -0.822 . . . . 0.0 108.968 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.23 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.353 -0.842 . . . . 0.0 109.042 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -61.55 -32.08 72.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.355 -0.84 . . . . 0.0 109.471 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -60.89 -41.66 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.87 . . . . 0.0 109.698 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -63.95 -38.8 92.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.323 -0.861 . . . . 0.0 109.958 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.15 -39.79 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.963 -1.086 . . . . 0.0 109.187 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -61.52 -32.97 73.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.429 -0.794 . . . . 0.0 109.978 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.14 -0.53 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.115 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.77 4.37 63.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 20' ' ' LEU . 80.8 mt -101.6 41.37 1.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -1.167 . . . . 0.0 109.17 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.54 -32.01 37.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.677 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.1 mt -57.28 -42.5 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.952 -1.322 . . . . 0.0 109.063 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.88 -48.13 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.934 -1.104 . . . . 0.0 108.573 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.45 81.07 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.35 -46.6 85.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -1.12 . . . . 0.0 109.73 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 27.7 m-85 -67.18 -36.97 82.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.852 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.96 -41.17 99.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 109.803 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.433 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -61.95 -40.35 95.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.071 -1.018 . . . . 0.0 108.921 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.68 -39.17 93.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.478 -0.764 . . . . 0.0 108.972 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -64.85 -46.88 80.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.71 81.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.97 -50.58 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.09 -1.006 . . . . 0.0 109.675 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -66.95 -30.28 70.37 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 6.1 tp -60.14 -45.02 94.45 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.23 -44.21 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.306 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.62 -37.46 87.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.499 -0.751 . . . . 0.0 109.822 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.4 m -77.14 1.32 18.62 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.431 -0.793 . . . . 0.0 109.235 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -93.27 125.25 37.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.309 -0.869 . . . . 0.0 109.297 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.7 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -92.59 125.73 37.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.136 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -136.27 143.34 44.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.669 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.16 159.38 20.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -52.89 -34.65 55.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.832 -1.167 . . . . 0.0 108.46 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -68.68 -41.0 79.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.947 -1.095 . . . . 0.0 109.82 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -62.79 -43.86 97.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.79 72.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.79 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.23 -39.56 93.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.268 -0.895 . . . . 0.0 109.758 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.23 91.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 m -60.71 -45.92 92.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.471 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.39 -37.58 75.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 109.596 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 52' ' ' LEU . 95.2 mt -63.78 -37.13 86.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.883 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.75 -38.56 78.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 0.0 109.26 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.33 -44.16 97.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 109.511 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 HG21 HE22 ' A' ' 28' ' ' GLN . 53.8 m -68.25 -48.62 64.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 0.0 109.713 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.5 mt -60.57 -47.62 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -42.07 92.56 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 109.093 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.32 87.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.166 -0.959 . . . . 0.0 109.013 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.4 t80 -62.59 -47.94 81.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.487 -0.758 . . . . 0.0 109.951 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.1 tttt -63.6 -43.56 96.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.798 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -63.31 -33.16 74.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 108.688 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.83 -31.01 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.399 -0.813 . . . . 0.0 108.85 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 HD11 ' A' ' 76' ' ' LEU . 71.8 mt -124.14 7.95 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.557 -0.714 . . . . 0.0 109.693 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.94 -38.13 73.51 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 2.85 63.49 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.67 -36.67 79.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.975 -1.309 . . . . 0.0 108.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 -31.27 1.27 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.84 -30.6 71.68 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.57 81.86 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.394 -0.816 . . . . 0.0 109.193 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.55 -43.58 80.05 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.49 -39.28 91.72 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.0 t -159.34 96.17 1.28 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.56 8.26 44.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 109.65 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -98.55 -75.28 0.56 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 110.112 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.9 p -67.08 -40.55 87.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.341 -0.849 . . . . 0.0 111.325 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.691 HD11 HG23 ' A' ' 63' ' ' ILE . 35.2 tp -66.08 -35.53 80.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.535 -1.353 . . . . 0.0 109.582 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -59.57 -44.56 93.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.175 -0.953 . . . . 0.0 109.155 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.576 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.98 -44.5 97.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.677 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.0 ttt -58.9 -36.58 74.93 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.65 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 9.3 t-20 -60.13 -33.02 71.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 m -57.53 -38.52 74.82 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.7 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 72.2 mt -60.06 -40.86 90.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.555 -0.716 . . . . 0.0 109.562 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 25' ' ' TYR . 96.3 mt -82.56 -45.12 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.191 -0.943 . . . . 0.0 111.557 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.65 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 41.8 m-70 -77.58 -45.72 24.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 111.408 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -76.55 98.14 4.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.853 -1.154 . . . . 0.0 109.118 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.12 -37.45 87.5 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.05 -47.38 83.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.0 110.068 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.29 -43.21 86.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 0.0 109.339 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.73 -37.84 88.85 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 108.794 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -45.64 72.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.461 -0.775 . . . . 0.0 109.68 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.83 -43.67 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.0 109.487 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.743 ' CE2' ' NE2' ' B' ' 134' ' ' GLN . 55.6 t80 -64.86 -44.12 90.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.15 -0.969 . . . . 0.0 109.5 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.35 -42.47 99.42 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.46 -41.29 96.62 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 89.9 m-20 -62.86 -42.03 99.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.366 -0.834 . . . . 0.0 109.391 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -65.36 -49.35 69.7 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.837 . . . . 0.0 109.017 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.537 ' OG1' HD11 ' A' ' 131' ' ' ILE . 60.0 m -63.54 -44.53 93.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.459 -0.776 . . . . 0.0 109.175 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.659 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 89.5 mmm -63.07 -38.85 92.84 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.255 -0.903 . . . . 0.0 109.49 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -61.82 -46.4 89.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.555 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 43.6 tp -66.15 -43.04 88.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.802 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 40.9 t80 -61.68 -41.43 97.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.533 -0.73 . . . . 0.0 109.57 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.46 -40.57 95.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.198 -0.939 . . . . 0.0 109.801 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.648 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.412 ' HZ2' ' CB ' ' A' ' 120' ' ' SER . 12.9 mmtt -63.62 -45.52 89.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -0.937 . . . . 0.0 109.68 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.802 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 61.1 mt -69.12 -35.7 76.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.095 -1.003 . . . . 0.0 108.599 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.569 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.5 tttp -59.78 -44.48 93.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' OE1' HD13 ' A' ' 117' ' ' LEU . 41.9 tt0 -63.95 -37.38 87.19 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.865 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -59.96 -32.13 70.52 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.654 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -58.86 -39.87 82.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.581 -0.7 . . . . 0.0 110.196 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.35 -24.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.182 -0.949 . . . . 0.0 110.266 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.24 156.98 1.43 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.83 141.39 89.9 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.891 2.394 . . . . 0.0 112.812 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.417 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.7 m-90 -106.13 138.15 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 108.886 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.17 173.02 17.44 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.919 -1.113 . . . . 0.0 110.42 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.37 -39.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.1 ttp -54.05 -41.99 68.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.993 -1.067 . . . . 0.0 108.231 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.796 HD13 ' OE1' ' A' ' 107' ' ' GLN . 46.6 tp -61.91 -36.95 82.86 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.424 -0.797 . . . . 0.0 109.074 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 85.2 tttt -57.64 -47.58 81.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.411 -0.806 . . . . 0.0 109.785 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -68.58 -37.48 79.89 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.576 -0.703 . . . . 0.0 110.324 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 87.0 p -62.31 -39.16 92.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.236 -0.915 . . . . 0.0 110.307 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.14 -40.27 95.8 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.006 -1.059 . . . . 0.0 109.211 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.843 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.7 m95 -62.35 -38.02 87.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.297 -0.877 . . . . 0.0 109.112 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -40.57 87.35 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.523 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.555 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 74.8 m -62.54 -40.69 97.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.869 . . . . 0.0 109.651 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.572 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -58.02 -42.24 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.31 -0.868 . . . . 0.0 109.898 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.13 -41.36 96.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.193 -0.942 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.47 -40.39 96.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 110.176 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.685 ' HB3' HD11 ' A' ' 151' ' ' ILE . 26.3 m-85 -64.96 -44.11 90.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 110.044 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.5 m -60.99 -36.39 79.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.739 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.65 -43.57 84.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.892 . . . . 0.0 109.77 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.585 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 98.7 mt -59.38 -42.22 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.082 -1.011 . . . . 0.0 110.202 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 147' ' ' LEU . 94.8 mt -67.75 -45.12 75.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 0.0 110.208 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.455 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.4 t60 -69.93 -43.19 72.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 111.294 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.2 mt -59.36 -32.47 70.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.218 -0.926 . . . . 0.0 111.496 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -142.21 59.85 1.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.737 -1.227 . . . . 0.0 110.99 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -61.74 -38.27 87.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 109.039 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.25 -27.15 66.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.637 -0.664 . . . . 0.0 111.158 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -91.71 -0.43 57.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.798 -1.188 . . . . 0.0 110.4 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.31 126.06 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.866 . . . . 0.0 108.927 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.85 159.76 34.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 109.539 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.4 -40.27 95.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.32 -0.862 . . . . 0.0 109.419 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.9 m -63.88 -45.69 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.364 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 m -63.47 -38.35 90.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.096 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 132' ' ' LEU . 43.8 m -61.51 -39.69 91.91 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.419 -0.801 . . . . 0.0 109.445 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -57.96 -40.01 79.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.783 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 t -62.0 -40.69 96.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.0 109.038 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 132' ' ' LEU . 86.5 mt -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.491 -0.756 . . . . 0.0 109.593 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.53 -37.32 80.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 109.478 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.713 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.6 tttt -62.13 -41.05 97.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.01 . . . . 0.0 108.549 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.659 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.0 mtt180 -62.42 -42.89 99.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.35 -0.844 . . . . 0.0 108.799 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.7 mt -67.25 -46.96 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 17.7 mmtt -61.07 -37.29 82.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.633 -0.667 . . . . 0.0 109.372 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.776 ' OH ' HD11 ' B' ' 154' ' ' LEU . 8.3 t80 -56.22 -43.8 78.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 25.3 m -66.24 -42.13 89.04 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.56 -44.09 89.59 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.446 -0.784 . . . . 0.0 109.726 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.5 HD12 HD22 ' B' ' 163' ' ' LEU . 80.8 mt -69.61 -50.17 52.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 110.507 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.865 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.83 -36.63 82.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.197 -0.939 . . . . 0.0 110.467 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.843 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.0 tp -60.39 -37.51 81.02 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.9 m -66.64 -45.17 79.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.937 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -60.37 -37.19 79.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.42 -0.8 . . . . 0.0 109.695 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 158' ' ' LEU . 15.3 mt -59.68 -35.33 74.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.193 -0.942 . . . . 0.0 108.529 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.65 71.29 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.556 -0.715 . . . . 0.0 109.662 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.453 ' HE3' HD21 ' B' ' 171' ' ' LEU . 49.7 mttm -77.96 -16.29 58.28 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.052 -1.03 . . . . 0.0 109.011 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.03 11.25 76.81 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.63 -29.16 61.18 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.548 -0.972 . . . . 0.0 109.93 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.4 mm -101.94 131.18 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.092 -1.005 . . . . 0.0 109.031 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.646 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.56 ' C ' ' H ' ' B' ' 130' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.559 ' OD1' HG22 ' B' ' 128' ' ' ILE . 36.8 m-20 -75.34 19.95 0.16 Allowed 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.576 HD12 HG22 ' A' ' 78' ' ' VAL . 20.6 tt -66.51 -42.1 89.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.554 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.9 m-20 -69.82 -41.91 74.35 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.698 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 135' ' ' ASP . 48.9 mttm -66.81 -46.01 76.56 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.674 0.749 . . . . 0.0 109.057 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.47 -46.24 83.91 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.887 0.851 . . . . 0.0 109.527 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.743 ' NE2' ' CE2' ' A' ' 92' ' ' TYR . 11.2 tp60 -63.16 -36.72 84.57 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.782 -0.574 . . . . 0.0 110.101 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' B' ' 136' ' ' MET . 58.3 t0 -160.37 -128.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.027 -1.046 . . . . 0.0 109.974 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.527 ' H ' ' CG ' ' B' ' 135' ' ' ASP . 70.0 mtm -103.18 -170.24 1.76 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.18 -28.38 40.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 0.0 109.565 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -50.35 149.2 3.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 0.0 109.316 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -97.82 165.93 11.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 109.768 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 52.8 mtp -57.48 -45.05 85.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.378 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.0 -34.44 78.11 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.325 -0.86 . . . . 0.0 108.89 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.02 -37.54 80.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.78 -33.99 69.12 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.56 -30.61 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.16 -0.963 . . . . 0.0 108.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.02 -38.36 70.41 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -59.25 -36.51 75.62 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.42 81.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -55.79 -39.64 71.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.041 -1.27 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.569 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 tt0 -60.47 -34.16 73.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.696 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.8 tt -55.26 -44.66 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.08 -41.42 96.61 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 0.0 108.819 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.564 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.9 -38.34 88.01 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.701 -0.624 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 33.3 t -64.75 -50.67 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 110.24 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.776 HD11 ' OH ' ' A' ' 153' ' ' TYR . 1.3 mm? -67.01 -33.24 75.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.126 -0.984 . . . . 0.0 109.169 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.06 97.82 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.654 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 83.7 mtp -64.7 -37.2 86.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.0 t-20 -60.4 -38.89 85.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 109.363 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.64 106.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.401 -0.812 . . . . 0.0 109.217 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.33 -35.58 72.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.161 -0.962 . . . . 0.0 109.193 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.4 p -82.37 0.68 40.78 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -60.92 99.36 0.19 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -114.93 152.03 33.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.481 -1.011 . . . . 0.0 109.34 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 149' ' ' LYS . 40.4 mt -55.06 -32.74 62.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -0.907 . . . . 0.0 109.463 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -58.92 -30.39 67.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.9 . . . . 0.0 109.371 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -75.45 -21.19 58.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.613 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.1 mt -101.82 131.71 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.22 -0.925 . . . . 0.0 108.784 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 66.6 m -58.06 72.43 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 0.0 110.392 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.3 t0 -64.2 -36.67 84.84 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.011 -1.055 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.28 71.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.016 -1.053 . . . . 0.0 112.014 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.9 67.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.752 -1.218 . . . . 0.0 109.823 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.453 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.5 mt -62.36 -38.61 90.23 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.676 -0.64 . . . . 0.0 110.531 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 90.8 m-20 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.136 -0.977 . . . . 0.0 110.496 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.47 86.05 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.007 -1.058 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.08 -37.62 86.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.235 -0.916 . . . . 0.0 110.298 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 158' ' ' LEU . 17.3 tp -67.77 -35.19 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.957 -1.089 . . . . 0.0 110.439 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 33.0 m-20 -61.67 -36.84 81.98 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.81 71.37 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.075 -1.016 . . . . 0.0 108.339 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.07 -37.14 83.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.49 -0.756 . . . . 0.0 110.067 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.461 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -57.56 -43.27 84.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.56 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.56 -36.71 81.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.353 -0.842 . . . . 0.0 109.445 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.8 tm-20 -70.77 -45.42 64.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.325 -0.859 . . . . 0.0 110.169 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.3 m-20 -70.13 -36.63 74.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.121 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.17 173.49 11.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.448 -0.782 . . . . 0.0 109.223 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.02 121.17 44.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.367 -0.833 . . . . 0.0 109.097 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.568 HD12 ' N ' ' B' ' 185' ' ' LEU . 6.9 mp -90.77 143.26 28.6 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.296 1.997 . . . . 0.0 112.217 -179.738 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.261 0.553 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.83 78.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -60.43 -36.83 79.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 109.444 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 8' ' ' VAL . 23.6 m120 -60.62 -36.55 78.89 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.307 -0.87 . . . . 0.0 109.38 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.593 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.96 -39.6 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.319 -0.863 . . . . 0.0 109.583 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.6 88.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.919 . . . . 0.0 110.064 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 46.8 ttt-85 -59.89 -41.34 91.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.133 -0.979 . . . . 0.0 109.287 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.57 HG11 ' HD2' ' A' ' 30' ' ' TYR . 98.0 t -60.63 -40.36 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.38 -47.61 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.188 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.66 82.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.285 -0.884 . . . . 0.0 108.713 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 47.1 m -61.39 -38.65 87.81 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -39.19 80.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.402 -0.811 . . . . 0.0 108.841 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -60.54 -33.27 72.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.376 -0.828 . . . . 0.0 109.139 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.37 -38.89 85.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 109.215 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' HG21 ' A' ' 23' ' ' ILE . 60.4 m-85 -63.06 -43.47 98.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.248 -0.907 . . . . 0.0 108.85 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.36 -41.45 97.08 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.98 -29.04 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.86 -9.44 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.516 -0.74 . . . . 0.0 109.473 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.29 4.73 62.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' H ' HG12 ' A' ' 18' ' ' VAL . 94.2 mt -103.94 58.77 0.73 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -1.172 . . . . 0.0 109.151 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.88 62.77 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.877 HD12 HE22 ' B' ' 134' ' ' GLN . 69.1 mt -57.47 -43.4 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.95 -1.323 . . . . 0.0 109.585 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.556 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.1 mm -67.69 -47.47 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.041 -1.037 . . . . 0.0 108.797 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.43 84.11 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 73.0 t80 -58.24 -47.88 82.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -1.036 . . . . 0.0 109.96 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.4 m-85 -66.41 -34.92 79.03 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.081 -1.012 . . . . 0.0 109.814 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 87.4 mt -63.65 -36.89 85.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.56 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.82 -41.63 87.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.098 -1.001 . . . . 0.0 108.968 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -66.7 -37.5 84.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.175 -0.953 . . . . 0.0 108.823 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.701 ' O ' HD13 ' A' ' 34' ' ' LEU . 72.4 t80 -60.72 -46.08 91.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.523 -0.736 . . . . 0.0 110.546 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.87 85.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 110.092 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.992 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -65.2 -33.36 75.81 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.431 -0.793 . . . . 0.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.7 mp -61.23 -45.5 94.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.553 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.83 -45.5 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.893 . . . . 0.0 109.388 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.64 -36.57 84.68 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.396 -0.815 . . . . 0.0 109.696 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -68.04 -14.3 62.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -91.06 123.74 34.76 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.508 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.383 -0.823 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.96 125.85 32.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.177 -0.952 . . . . 0.0 110.009 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.69 144.27 37.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.605 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 55.0 m -114.1 160.39 18.99 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.89 -34.84 56.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.974 -1.079 . . . . 0.0 108.533 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.15 -44.57 68.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.269 -0.894 . . . . 0.0 109.815 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -69.82 -40.9 75.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.957 -1.089 . . . . 0.0 109.981 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 m -63.08 -42.86 99.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.755 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.43 76.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.814 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.33 -40.63 96.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.286 -0.884 . . . . 0.0 109.659 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.06 92.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.13 -0.982 . . . . 0.0 109.527 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.66 -45.85 92.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.422 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -38.31 77.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.229 -0.92 . . . . 0.0 109.908 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.0 mt -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.1 -1.0 . . . . 0.0 109.977 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.82 -40.47 84.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.979 -1.076 . . . . 0.0 109.394 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.9 -42.19 99.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.29 -0.881 . . . . 0.0 109.308 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 m -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.1 mp -55.81 -51.22 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.077 -1.015 . . . . 0.0 109.204 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.04 -38.49 88.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -0.93 . . . . 0.0 109.584 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.72 88.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.165 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.25 -48.93 60.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.368 -0.833 . . . . 0.0 109.65 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.8 tttt -64.08 -39.68 94.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.377 -0.827 . . . . 0.0 109.34 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -62.91 -33.96 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.98 -31.49 68.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.516 -0.74 . . . . 0.0 109.165 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 63' ' ' ILE . 76.0 mt -123.63 9.72 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.559 -0.713 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.24 -37.92 55.78 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.78 3.06 64.48 Favored Glycine 0 N--CA 1.489 2.214 0 O-C-N 121.217 -1.167 . . . . 0.0 110.282 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.78 -37.15 83.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.041 -1.27 . . . . 0.0 109.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.92 -29.66 1.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.47 -31.33 72.46 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.77 81.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.504 -0.747 . . . . 0.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.67 -44.13 81.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.608 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.72 -39.68 94.06 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -158.49 94.89 1.3 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.2 p30 -93.06 6.44 47.96 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.93 . . . . 0.0 109.675 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -95.53 -74.83 0.54 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.279 -0.888 . . . . 0.0 110.008 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -67.16 -38.15 84.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.416 -0.803 . . . . 0.0 111.393 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -70.81 -36.48 72.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.547 -1.346 . . . . 0.0 109.726 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.42 -45.32 94.06 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.652 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.76 93.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.372 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.7 ttt -58.85 -36.46 74.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.94 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -56.92 -37.68 71.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 59.3 mt -60.26 -40.88 91.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.458 -0.776 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.544 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.2 mt -85.68 -45.49 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.258 -0.901 . . . . 0.0 111.361 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -73.26 -46.29 50.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 0.0 111.195 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.28 100.95 9.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.836 -1.165 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.55 -37.27 86.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.468 -0.77 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.8 -47.46 83.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 110.411 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.539 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 75.7 tttt -66.1 -41.8 90.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.327 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.4 -37.76 88.54 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.289 -0.882 . . . . 0.0 108.795 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -45.77 68.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.658 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.76 -46.14 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.927 . . . . 0.0 109.907 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -62.85 -44.21 96.72 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.141 -0.974 . . . . 0.0 109.384 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.93 -43.23 99.37 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.161 -0.962 . . . . 0.0 108.879 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.94 -42.16 99.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.471 -0.768 . . . . 0.0 109.051 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' O ' ' OG ' ' A' ' 99' ' ' SER . 94.8 m-20 -62.6 -41.02 98.72 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.536 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.19 -49.36 70.05 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.237 -0.914 . . . . 0.0 108.944 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.502 ' OG1' HD11 ' A' ' 131' ' ' ILE . 61.1 m -63.27 -45.32 92.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.402 -0.811 . . . . 0.0 108.893 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.653 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.5 mmm -63.21 -39.51 94.84 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.336 -0.853 . . . . 0.0 109.423 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.4 m -62.65 -46.45 88.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.008 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 57.1 tp -66.38 -44.41 83.22 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.6 t80 -61.62 -41.56 97.64 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.567 -0.708 . . . . 0.0 109.695 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 46.3 t30 -61.86 -39.56 92.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.297 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.35 -39.82 94.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.134 -0.979 . . . . 0.0 109.971 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.718 ' HZ1' ' CB ' ' A' ' 120' ' ' SER . 29.4 mmtp -63.6 -45.2 91.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.077 -1.014 . . . . 0.0 109.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CG ' ' B' ' 150' ' ' LEU . 34.0 mt -67.09 -36.6 82.31 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.885 -1.135 . . . . 0.0 108.176 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 14.2 tttt -60.56 -46.03 91.71 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.33 -36.87 83.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.6 tp -58.03 -33.15 68.67 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 16.6 tttt -59.18 -39.36 82.31 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.756 -0.59 . . . . 0.0 110.016 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.24 -20.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.155 -0.966 . . . . 0.0 110.924 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.94 158.03 3.14 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.19 138.96 69.72 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.937 2.424 . . . . 0.0 112.609 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.3 m-90 -106.58 135.84 47.4 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -157.56 172.06 19.23 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.939 -1.101 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.4 t -55.65 -38.86 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.6 ttm -54.98 -42.45 72.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.982 -1.074 . . . . 0.0 108.687 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.474 HD11 ' HD2' ' A' ' 104' ' ' LYS . 35.1 tp -62.33 -35.76 80.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.951 . . . . 0.0 109.004 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HG3' HD11 ' A' ' 158' ' ' LEU . 76.6 tttt -57.34 -47.1 82.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.489 -0.757 . . . . 0.0 109.998 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -67.72 -39.76 84.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.38 -0.825 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.718 ' CB ' ' HZ1' ' A' ' 104' ' ' LYS . 14.8 m -62.92 -39.88 95.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.868 . . . . 0.0 109.931 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 104' ' ' LYS . 85.9 mt -61.88 -40.6 95.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.207 -0.933 . . . . 0.0 109.197 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.836 ' NE1' HD21 ' A' ' 158' ' ' LEU . 42.0 m95 -63.44 -38.55 91.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.26 -0.9 . . . . 0.0 109.077 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.66 -39.73 91.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.529 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 66.6 m -62.96 -40.22 97.02 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.624 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -58.56 -42.02 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.3 -40.2 89.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.087 -1.008 . . . . 0.0 109.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.72 -39.18 93.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 110.421 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.8 m-85 -64.72 -44.75 89.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 110.128 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -62.34 -36.47 82.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 109.868 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.543 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 95.8 m -64.62 -43.17 94.59 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.984 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.502 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.9 mt -58.97 -45.09 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 110.139 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -67.85 -41.81 82.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.014 -1.054 . . . . 0.0 109.826 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.503 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.6 t60 -70.08 -45.24 67.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.487 -0.758 . . . . 0.0 110.706 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 88.9 mt -62.59 -34.09 76.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.332 -0.855 . . . . 0.0 111.439 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -140.1 55.56 1.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.759 -1.213 . . . . 0.0 110.632 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -38.22 89.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.258 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.76 -25.72 66.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.47 -0.769 . . . . 0.0 110.786 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -91.46 1.21 57.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.836 -1.165 . . . . 0.0 110.142 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.03 130.91 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 109.183 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 m -70.5 159.91 33.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.932 . . . . 0.0 109.391 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.64 -38.06 89.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.96 . . . . 0.0 109.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.9 m -64.31 -44.88 90.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.905 . . . . 0.0 109.425 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 m -63.48 -39.1 93.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.351 -0.843 . . . . 0.0 109.386 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.575 HG23 HD22 ' A' ' 132' ' ' LEU . 51.4 m -61.71 -39.59 92.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.0 109.62 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.68 -41.19 81.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.288 -0.882 . . . . 0.0 109.587 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.99 -40.83 97.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.376 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -66.05 -41.61 90.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.391 -0.818 . . . . 0.0 109.74 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.41 -38.36 86.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.467 -0.771 . . . . 0.0 109.446 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.64 -40.65 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.653 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.5 mtt180 -61.18 -42.58 98.82 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.293 -0.879 . . . . 0.0 109.27 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.92 -40.88 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.7 mmtt -61.09 -39.65 90.74 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.398 0.618 . . . . 0.0 109.862 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 48.6 t80 -57.86 -43.71 86.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.491 -0.756 . . . . 0.0 109.149 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.45 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -65.43 -40.59 93.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 108.943 179.35 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.69 -43.8 90.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.416 -0.803 . . . . 0.0 109.631 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.559 HG23 HD13 ' B' ' 171' ' ' LEU . 97.2 mt -69.4 -50.46 51.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 111.03 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.83 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.56 -35.6 80.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 110.38 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.836 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.9 tp -59.89 -36.01 76.04 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 108.518 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 59.2 p -69.04 -44.32 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 110.048 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -63.19 -37.41 87.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.772 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 158' ' ' LEU . 21.5 mt -60.26 -36.79 78.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.22 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.637 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.6 -26.66 65.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.331 -0.855 . . . . 0.0 109.959 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.59 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 27.6 mttt -77.97 -16.27 58.28 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.077 -1.014 . . . . 0.0 109.43 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.23 10.21 80.67 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.239 -1.945 . . . . 0.0 108.239 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.52 -27.75 60.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.549 -0.971 . . . . 0.0 109.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 16.6 mm -101.78 126.39 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.992 . . . . 0.0 108.829 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.512 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' B' ' 130' ' ' ILE . 72.8 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.495 ' N ' HG22 ' B' ' 128' ' ' ILE . 20.2 p30 -73.58 20.25 0.1 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.652 HD12 HG22 ' A' ' 78' ' ' VAL . 19.4 tt -63.23 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.584 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -71.94 -41.46 67.79 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.829 0.823 . . . . 0.0 108.785 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -66.97 -41.34 87.03 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.468 0.651 . . . . 0.0 109.953 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.25 -47.49 79.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.444 -0.785 . . . . 0.0 110.26 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.877 HE22 HD12 ' A' ' 22' ' ' ILE . 8.9 mm100 -68.36 -37.16 80.21 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.949 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 51.7 p30 -163.84 164.63 23.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.962 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.2 mtt -61.51 -31.68 71.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.34 -0.85 . . . . 0.0 109.841 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -52.96 126.52 20.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 0.0 109.73 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.536 ' O ' ' CB ' ' B' ' 131' ' ' ASP . 87.9 m-20 -66.33 -38.9 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.432 -0.792 . . . . 0.0 110.629 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' B' ' 141' ' ' LEU . 46.8 tp10 -126.42 138.8 53.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.089 -1.007 . . . . 0.0 110.518 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.42 -36.95 83.98 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.728 0.775 . . . . 0.0 109.624 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.596 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -56.85 -33.68 67.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.121 -0.987 . . . . 0.0 109.212 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.21 -37.6 77.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.197 -0.939 . . . . 0.0 108.96 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.75 -34.01 70.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.356 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.596 HD12 HD13 ' B' ' 141' ' ' LEU . 52.8 mt -67.8 -29.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.006 -1.059 . . . . 0.0 108.324 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.47 -38.34 74.34 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 92.4 mt-30 -59.44 -35.95 75.0 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.21 -33.35 84.0 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.0 -38.83 71.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.053 -1.263 . . . . 0.0 107.85 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.87 -34.17 74.2 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.694 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.4 tt -54.86 -45.29 74.55 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.4 -40.0 92.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.445 -0.784 . . . . 0.0 109.269 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.559 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 2.8 tm-20 -62.01 -39.05 90.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 109.753 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 30.7 t -64.47 -50.76 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.87 . . . . 0.0 110.357 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.59 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.1 mm? -67.09 -33.86 76.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.125 -0.984 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.66 -43.3 94.05 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.31 -0.869 . . . . 0.0 109.621 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.559 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 55.7 mtt -69.75 -39.81 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.975 . . . . 0.0 109.875 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.9 -43.5 98.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.674 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.581 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.3 t-20 -176.35 102.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -57.94 -35.9 71.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.166 -0.959 . . . . 0.0 109.088 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 37.9 p -84.97 5.19 30.2 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' GLY . . . . . 0.581 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.46 97.77 0.06 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -125.6 151.47 46.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.558 -0.966 . . . . 0.0 109.112 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.654 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.53 -34.26 66.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.504 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.23 -32.51 70.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.362 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -75.48 -27.29 58.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.458 -0.776 . . . . 0.0 110.005 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -99.45 131.04 47.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 108.766 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 167' ' ' SER . . . . . 0.53 ' O ' HD12 ' B' ' 171' ' ' LEU . 17.1 p -58.55 72.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.414 -0.804 . . . . 0.0 110.355 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -62.8 -36.55 83.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -0.943 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.58 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.058 -1.026 . . . . 0.0 111.78 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 170' ' ' GLU . . . . . 0.402 ' OE1' ' C ' ' B' ' 170' ' ' GLU . 0.5 OUTLIER -72.84 -37.21 67.5 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.741 -1.224 . . . . 0.0 109.672 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 156' ' ' ILE . 35.3 mt -65.3 -38.43 90.18 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.615 -0.678 . . . . 0.0 109.937 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.3 m-20 -62.51 -43.31 99.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.365 -0.834 . . . . 0.0 110.704 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.76 89.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.091 -1.005 . . . . 0.0 109.929 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.59 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -65.03 -36.98 86.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.104 -0.998 . . . . 0.0 110.15 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 20.5 tp -66.66 -35.08 79.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.976 -1.078 . . . . 0.0 110.674 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.479 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 21.9 m-20 -61.52 -37.02 82.21 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.338 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.69 -43.4 69.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.095 -1.003 . . . . 0.0 108.335 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.637 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.7 mt -66.48 -35.08 79.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.403 -0.811 . . . . 0.0 109.673 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.63 -40.09 71.69 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.064 -1.022 . . . . 0.0 108.41 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -61.99 -33.75 74.89 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.29 -40.6 94.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.457 -0.777 . . . . 0.0 110.751 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -93.24 -17.47 23.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -100.54 171.76 7.53 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.25 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.41 126.15 53.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.346 -0.846 . . . . 0.0 109.55 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.824 HD22 ' H ' ' B' ' 185' ' ' LEU . 0.5 OUTLIER -91.14 142.0 26.87 Favored Pre-proline 0 C--N 1.3 -1.547 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.111 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 C--N 1.31 -1.476 0 C-N-CA 122.223 1.949 . . . . 0.0 112.219 -179.633 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.78 78.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.087 -1.008 . . . . 0.0 109.555 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m -60.28 -36.45 77.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -0.871 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.42 -36.7 78.77 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.202 -0.936 . . . . 0.0 109.464 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.18 -39.89 94.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.268 -0.895 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.74 -48.19 67.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.968 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.477 HH12 ' C ' ' A' ' 122' ' ' TRP . 48.5 ttt180 -60.99 -40.98 95.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.942 . . . . 0.0 109.252 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 4' ' ' ASN . 78.7 t -60.78 -42.08 90.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ALA . 68.6 t -66.16 -47.83 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.69 84.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.304 -0.873 . . . . 0.0 108.873 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -61.39 -38.79 88.33 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.53 83.44 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.73 -31.86 72.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.0 109.365 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -60.77 -41.44 95.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.647 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -63.95 -38.27 90.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.744 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.99 -39.06 88.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 0.0 109.076 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -60.45 -33.3 72.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -3.66 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.309 -0.87 . . . . 0.0 109.968 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.82 4.75 63.28 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.1 mt -99.1 50.59 0.95 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 0.0 109.363 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.66 -31.78 57.99 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.762 HD11 ' CE ' ' A' ' 79' ' ' MET . 74.9 mt -57.47 -42.82 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -1.22 . . . . 0.0 109.458 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.12 -48.07 82.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 120.93 -1.106 . . . . 0.0 108.775 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.68 81.14 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.73 -47.87 83.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -1.13 . . . . 0.0 109.678 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.5 m-85 -67.37 -36.72 81.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.01 . . . . 0.0 110.11 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.19 -41.28 98.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.093 -1.005 . . . . 0.0 109.779 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mt-30 -62.32 -40.22 95.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.14 -39.65 93.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.401 -0.812 . . . . 0.0 109.177 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 5.2 t80 -65.81 -47.3 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.85 . . . . 0.0 110.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.69 81.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 109.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.8 t -60.37 -50.86 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.06 -1.025 . . . . 0.0 109.625 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.32 -30.37 70.19 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -60.34 -45.03 94.89 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.254 0.549 . . . . 0.0 109.559 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.06 -41.77 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 0.0 109.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -0.793 . . . . 0.0 109.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -67.22 -16.79 64.5 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.01 122.62 30.3 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.474 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -35.59 80.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -86.02 125.78 33.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -137.31 143.91 42.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 95.3 p -114.08 163.19 15.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -53.44 -35.41 60.45 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.959 -1.088 . . . . 0.0 108.692 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.01 -45.18 67.8 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.7 mtp -68.99 -40.72 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.027 -1.046 . . . . 0.0 109.925 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 m -62.72 -43.63 98.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 0.0 109.518 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.32 75.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.805 . . . . 0.0 109.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.36 -40.7 97.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.71 87.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.003 . . . . 0.0 109.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -61.45 -45.81 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -0.824 . . . . 0.0 110.536 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.02 -37.78 74.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.4 mt -64.2 -37.07 86.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.259 -0.9 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -58.64 -38.86 78.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.999 -1.063 . . . . 0.0 109.396 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.23 -43.51 98.65 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.498 HG21 HE22 ' A' ' 28' ' ' GLN . 43.0 m -66.44 -46.46 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.836 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.4 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.79 -49.4 84.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.405 -0.809 . . . . 0.0 109.569 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.68 -40.09 95.95 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.11 -0.994 . . . . 0.0 109.181 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.45 -41.43 80.27 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.679 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.3 t80 -63.73 -48.45 77.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.438 -0.789 . . . . 0.0 109.696 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 58.1 tttt -64.08 -41.0 97.47 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.371 -0.83 . . . . 0.0 109.304 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -63.22 -34.21 77.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 108.623 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -59.67 -31.76 69.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.538 -0.727 . . . . 0.0 109.207 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 76' ' ' LEU . 71.6 mt -122.97 11.55 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.585 -0.697 . . . . 0.0 109.756 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.0 -34.11 22.8 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.29 15.81 52.24 Favored Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.119 -1.224 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.77 -87.77 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.862 -1.376 . . . . 0.0 108.528 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -69.75 -34.41 73.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.89 -30.4 71.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.604 -0.685 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -57.89 -40.55 80.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.212 -0.93 . . . . 0.0 109.262 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -43.26 86.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.95 -39.52 87.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.712 0.768 . . . . 0.0 109.06 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.48 ' O ' ' OG ' ' A' ' 72' ' ' SER . 10.1 p -163.74 99.19 0.89 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -99.59 4.88 46.0 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.266 -0.896 . . . . 0.0 109.569 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -93.89 -76.14 0.49 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.2 p -66.96 -37.22 83.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.34 -0.85 . . . . 0.0 111.166 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 63' ' ' ILE . 31.6 tp -68.29 -35.64 78.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.535 -1.353 . . . . 0.0 109.725 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.578 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.2 t60 -60.14 -45.48 92.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.247 -0.908 . . . . 0.0 109.718 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.51 -42.22 92.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.109 -0.994 . . . . 0.0 108.511 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.762 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.9 ttt -58.75 -36.43 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.39 -32.68 71.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.733 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -56.8 -37.75 71.58 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.3 mt -60.43 -41.31 93.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.508 -0.745 . . . . 0.0 109.595 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.546 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.0 mt -85.44 -45.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.231 -0.918 . . . . 0.0 111.336 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -72.91 -46.51 52.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.287 -0.883 . . . . 0.0 111.209 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.37 100.71 9.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.955 -1.091 . . . . 0.0 109.606 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.51 -36.86 85.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.376 -0.827 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.72 -47.4 83.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 110.291 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.982 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.68 -37.89 89.03 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -45.64 72.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.428 -0.795 . . . . 0.0 109.698 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.3 -44.23 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.595 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.85 -41.95 95.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.15 -40.96 97.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 108.812 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.61 -41.26 96.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 108.919 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.65 ' OD1' HD11 ' B' ' 144' ' ' ILE . 24.1 m-20 -60.65 -42.33 96.75 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.324 -0.86 . . . . 0.0 109.444 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -66.3 -49.05 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.31 -0.869 . . . . 0.0 109.055 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 41.9 m -62.05 -44.66 96.21 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.401 -0.812 . . . . 0.0 109.221 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 90.4 mmm -62.65 -38.54 90.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.163 -0.96 . . . . 0.0 109.392 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 m -62.69 -46.21 89.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.105 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.578 HD21 ' SG ' ' A' ' 124' ' ' CYS . 52.1 tp -67.18 -43.31 82.51 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.629 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.03 -43.06 99.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.546 -0.721 . . . . 0.0 109.199 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -62.67 -39.05 92.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.746 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.14 -42.25 99.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.832 . . . . 0.0 110.034 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.578 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 16.2 mmtt -64.76 -45.43 86.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.043 -1.035 . . . . 0.0 109.437 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.629 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 52.8 mt -67.75 -36.58 80.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.177 -0.952 . . . . 0.0 108.644 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 31.6 tttp -60.85 -46.22 91.44 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.9 mt-30 -63.11 -36.77 84.7 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -58.97 -31.95 69.21 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 68.1 tttt -58.85 -34.84 72.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.611 -0.681 . . . . 0.0 109.942 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -175.36 -26.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.093 -1.004 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -47.45 158.04 0.62 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.48 141.12 85.46 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.972 2.448 . . . . 0.0 112.692 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.3 m-90 -106.01 135.72 46.97 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -152.09 174.31 13.85 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.955 -1.091 . . . . 0.0 110.58 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.63 -39.84 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.673 -0.642 . . . . 0.0 109.369 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 61.5 mtt -57.75 -39.16 76.73 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.846 -1.159 . . . . 0.0 108.702 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 32.9 tp -61.48 -40.16 93.53 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 82.8 tttt -62.24 -48.8 78.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.542 0.687 . . . . 0.0 109.758 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -68.96 -40.95 78.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.436 -0.79 . . . . 0.0 109.572 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.578 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -62.74 -37.77 87.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.806 . . . . 0.0 109.5 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 104' ' ' LYS . 35.9 mt -61.71 -42.42 98.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 109.53 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.861 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.7 m95 -60.84 -37.05 80.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 108.865 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.7 94.86 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.545 -0.722 . . . . 0.0 109.555 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.578 ' SG ' HD21 ' A' ' 100' ' ' LEU . 33.9 m -62.67 -39.55 94.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -58.11 -42.48 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.837 . . . . 0.0 109.974 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.65 -40.15 93.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.234 -0.916 . . . . 0.0 110.476 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.699 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.4 m-85 -65.04 -43.81 91.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.005 -1.059 . . . . 0.0 110.106 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 m -61.71 -36.03 79.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.117 -0.989 . . . . 0.0 109.842 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -65.21 -41.59 94.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 0.0 109.822 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.559 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.6 mt -59.43 -44.93 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.096 -1.003 . . . . 0.0 110.326 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 147' ' ' LEU . 85.1 mt -67.13 -41.63 85.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.001 . . . . 0.0 110.34 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -70.25 -46.17 64.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 111.016 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.87 -34.22 75.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.251 -0.906 . . . . 0.0 111.292 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -139.81 53.31 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 110.71 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -38.14 89.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 109.032 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.21 -25.32 66.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.439 -0.788 . . . . 0.0 110.642 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.445 HD21 ' HG3' ' A' ' 87' ' ' GLU . 51.8 t30 -91.48 1.44 57.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.885 -1.134 . . . . 0.0 110.315 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.5 mt -117.34 129.98 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.077 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.57 159.85 33.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.515 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.15 -44.81 94.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.38 -38.58 91.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.344 -0.848 . . . . 0.0 109.404 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 132' ' ' LEU . 45.7 m -61.63 -40.35 94.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.43 -0.793 . . . . 0.0 109.694 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.93 -40.0 79.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 109.596 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -62.71 -40.87 98.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.348 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.778 HD12 HD21 ' A' ' 132' ' ' LEU . 86.6 mt -65.9 -41.76 91.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.354 -0.841 . . . . 0.0 109.662 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.4 -38.31 86.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.517 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -62.46 -41.27 98.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.907 . . . . 0.0 109.056 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.6 mtt180 -61.67 -42.4 98.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.214 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -66.04 -41.76 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.322 -0.861 . . . . 0.0 108.795 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.583 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.5 mmtt -61.09 -39.07 88.54 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.551 -0.718 . . . . 0.0 109.793 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.714 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 34.3 t80 -57.31 -43.68 83.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.389 -0.819 . . . . 0.0 108.901 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.16 -41.4 94.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.0 108.823 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.48 -43.89 89.12 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.319 -0.863 . . . . 0.0 109.63 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' B' ' 166' ' ' ILE . 82.6 mt -69.49 -50.51 50.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.807 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.93 -35.97 81.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.928 . . . . 0.0 110.484 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.861 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.4 tp -59.85 -37.18 78.54 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.9 m -66.27 -46.16 77.98 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.35 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.4 -38.07 85.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.616 -0.678 . . . . 0.0 109.717 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.542 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.1 mt -63.83 -41.5 97.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.81 61.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 109.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -83.63 -2.54 56.33 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.272 -0.892 . . . . 0.0 109.806 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.46 12.5 84.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -75.01 -29.19 60.79 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.26 -1.141 . . . . 0.0 109.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.0 mm -106.71 133.91 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.183 -0.948 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.978 -1.457 . . . . 0.0 109.55 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 73.2 m-20 -75.48 19.93 0.17 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.12 -42.2 93.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.545 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.1 m-20 -72.03 -41.01 68.01 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -67.0 -42.23 85.36 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.386 0.612 . . . . 0.0 109.817 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.14 -47.8 78.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.0 110.185 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.585 ' OE1' HD12 ' A' ' 22' ' ' ILE . 13.8 mm100 -71.45 -36.31 71.2 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.594 ' OD1' ' N ' ' B' ' 136' ' ' MET . 54.0 p30 -167.54 -123.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 0.0 109.867 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.594 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 70.3 mtm -92.43 156.92 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.908 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . 62.8 tt0 -55.91 -28.57 57.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.466 -0.771 . . . . 0.0 109.933 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 137' ' ' GLN . 89.0 m-20 -42.06 138.63 1.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.772 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.37 149.7 28.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.807 . . . . 0.0 109.964 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.538 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.8 mtm -57.33 -37.67 72.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.334 -0.854 . . . . 0.0 108.703 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.82 -33.23 68.39 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.91 -36.64 75.04 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 48.3 mt -58.04 -31.94 67.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.65 HD11 ' OD1' ' A' ' 95' ' ' ASN . 41.9 mm -67.36 -32.0 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.62 -38.55 69.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.12 -36.24 74.85 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.48 81.06 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.92 -39.2 71.32 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.979 -1.306 . . . . 0.0 107.883 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 76.9 tt0 -61.01 -33.85 73.92 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.685 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.0 tt -55.05 -44.15 74.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.52 -40.05 90.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 109.168 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.568 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.6 tm-20 -62.26 -37.19 84.5 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.489 -0.757 . . . . 0.0 109.701 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 109' ' ' LYS . 25.1 t -64.72 -50.14 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 110.476 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.2 mm? -66.24 -33.4 75.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.155 -0.965 . . . . 0.0 109.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.0 109.625 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.6 mtp -66.72 -41.01 88.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.983 -1.073 . . . . 0.0 110.001 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.82 -46.3 90.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.8 t-20 -177.55 104.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 159' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 87.9 m-20 -57.83 -35.97 71.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 108.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 39.4 p -86.13 6.59 28.52 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' GLY . . . . . 0.592 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.45 97.8 0.06 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -121.63 153.44 38.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.598 -0.943 . . . . 0.0 108.993 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.708 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.96 -34.39 65.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.441 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.46 -33.28 71.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.226 -0.921 . . . . 0.0 109.671 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.32 -27.31 59.21 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.297 -0.877 . . . . 0.0 110.133 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.4 mt -98.2 134.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.437 -0.789 . . . . 0.0 108.996 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 94.7 p -60.35 68.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.42 -0.8 . . . . 0.0 110.261 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -63.81 -38.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.68 77.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.007 . . . . 0.0 111.176 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.35 -42.51 68.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.915 -1.116 . . . . 0.0 109.829 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.53 -38.33 90.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.691 . . . . 0.0 110.173 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.583 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.6 m-20 -60.73 -42.51 97.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.185 -0.947 . . . . 0.0 110.485 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.85 88.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.7 -38.12 83.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.213 -0.929 . . . . 0.0 110.19 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.507 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.14 -37.34 80.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.142 -0.974 . . . . 0.0 110.485 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.97 -39.7 95.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.007 -1.058 . . . . 0.0 109.129 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.93 -42.94 66.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 108.362 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.463 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.9 tp -65.67 -37.69 87.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.64 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.68 -41.54 70.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.088 -1.007 . . . . 0.0 109.061 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -61.37 -36.86 81.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 108.942 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.432 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -67.13 -45.3 77.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 110.019 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.579 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 50.8 m-20 -72.16 -35.46 69.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.371 -0.831 . . . . 0.0 109.847 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -87.03 172.99 9.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.529 -0.732 . . . . 0.0 109.253 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.422 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.73 124.21 50.85 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.368 -0.832 . . . . 0.0 109.361 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.812 HD22 ' N ' ' B' ' 185' ' ' LEU . 2.5 mm? -91.27 137.32 26.27 Favored Pre-proline 0 C--N 1.303 -1.445 0 O-C-N 121.379 -0.826 . . . . 0.0 108.934 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 N--CA 1.492 1.407 0 C-N-CA 122.135 1.89 . . . . 0.0 112.224 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.77 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.259 -0.901 . . . . 0.0 109.446 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.84 -32.12 71.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.2 -0.938 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.77 -37.7 82.72 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.174 -0.954 . . . . 0.0 109.223 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.59 -41.19 98.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.0 109.251 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.82 72.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.925 . . . . 0.0 109.773 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -60.08 -42.28 94.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 4' ' ' ASN . 70.9 t -61.29 -42.23 92.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.638 -0.664 . . . . 0.0 109.382 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.8 t -65.78 -47.16 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.377 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -40.6 80.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 108.913 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -62.72 -38.44 90.49 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.89 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.336 -0.853 . . . . 0.0 108.907 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.01 -32.9 73.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.398 -0.814 . . . . 0.0 109.641 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -60.77 -42.19 97.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.88 . . . . 0.0 109.914 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.05 -38.52 91.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 110.053 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.22 -38.85 88.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.014 -1.054 . . . . 0.0 109.238 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.8 -34.2 74.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.969 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.35 0.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 110.129 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.83 4.35 63.53 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.8 mt -99.62 33.49 2.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.085 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.83 8.21 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.798 HD11 ' CE ' ' A' ' 79' ' ' MET . 75.0 mt -57.37 -42.95 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.033 -1.275 . . . . 0.0 109.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.49 -48.59 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.133 -0.979 . . . . 0.0 108.401 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.29 -32.57 81.28 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.684 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.3 t80 -58.54 -47.18 85.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -1.105 . . . . 0.0 109.7 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.532 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 34.6 m-85 -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 110.126 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.72 -41.1 98.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.106 -0.996 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.26 -40.19 93.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.997 . . . . 0.0 108.859 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.24 -39.89 89.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.403 -0.811 . . . . 0.0 109.244 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.6 t80 -64.36 -43.75 93.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.468 -0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.69 81.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.771 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.61 -50.78 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 109.613 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.58 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.9 mt-10 -67.03 -30.07 70.05 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -59.84 -43.63 94.51 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.02 -44.15 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.188 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.03 -35.74 81.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.573 -0.704 . . . . 0.0 109.731 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -67.79 -14.52 63.02 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.98 124.2 33.48 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.368 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.23 -35.66 80.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.235 -0.915 . . . . 0.0 109.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.58 125.71 33.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.976 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.483 ' NH1' ' OG1' ' A' ' 46' ' ' THR . 34.6 mtm105 -139.59 141.32 37.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.81 . . . . 0.0 109.594 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 88.8 p -114.26 162.58 16.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -53.61 -35.36 60.83 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.933 -1.104 . . . . 0.0 108.733 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.06 -43.36 71.36 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.345 -0.847 . . . . 0.0 110.024 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.5 mtp -70.01 -40.78 75.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.902 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' NH1' ' A' ' 41' ' ' ARG . 49.9 m -61.99 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.366 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.63 74.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.75 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.17 -39.34 92.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.73 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.15 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.14 -0.975 . . . . 0.0 109.437 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -62.15 -45.83 91.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.26 -38.16 76.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.66 -37.23 86.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 109.929 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 79.7 mt -58.48 -39.4 79.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.06 -1.025 . . . . 0.0 109.466 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.01 -42.35 99.06 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.231 -0.918 . . . . 0.0 109.639 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 m -64.6 -45.47 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 0.0 110.136 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.28 -50.21 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.083 -1.011 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.66 -38.63 91.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.76 88.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.027 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -69.04 -48.86 61.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 64' ' ' GLY . 55.0 tttt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.413 -0.804 . . . . 0.0 109.422 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -63.02 -33.87 76.34 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.18 -31.47 69.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.561 -0.712 . . . . 0.0 109.155 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 63' ' ' ILE . 71.5 mt -123.43 10.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.542 -0.724 . . . . 0.0 109.776 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.38 -37.9 56.42 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.99 65.27 Favored Glycine 0 N--CA 1.489 2.227 0 O-C-N 121.208 -1.172 . . . . 0.0 110.208 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.47 -37.03 82.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.965 -1.314 . . . . 0.0 109.051 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.85 -29.92 1.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -31.44 72.6 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.48 77.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.798 . . . . 0.0 109.262 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.77 -42.84 89.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 108.631 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -64.52 -38.8 92.27 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.4 t -160.94 98.1 1.18 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -95.77 7.27 46.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.228 -0.92 . . . . 0.0 109.596 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -95.89 -75.66 0.52 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.17 -0.957 . . . . 0.0 109.93 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -67.39 -40.4 85.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.412 -0.805 . . . . 0.0 111.382 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 tp -70.26 -36.63 74.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.609 -1.307 . . . . 0.0 109.857 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.7 t60 -60.34 -45.13 94.54 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.57 -41.57 92.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.161 -0.962 . . . . 0.0 108.51 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.798 ' CE ' HD11 ' A' ' 22' ' ' ILE . 12.5 ttt -58.21 -35.93 72.38 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.685 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.08 -32.39 70.91 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.685 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 27.7 m -56.93 -37.71 71.89 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -60.21 -40.2 89.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.498 -0.751 . . . . 0.0 109.521 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.1 mt -85.96 -45.61 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.181 -0.95 . . . . 0.0 111.101 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -72.01 -46.55 56.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 111.066 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -80.54 100.79 8.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.831 -1.168 . . . . 0.0 109.421 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.48 -37.46 87.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 0.0 110.387 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.55 -47.49 81.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 110.347 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.644 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 74.9 tttt -66.03 -41.77 90.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.11 -0.994 . . . . 0.0 109.434 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.61 -37.56 87.79 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.322 -0.861 . . . . 0.0 108.768 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.3 66.95 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.465 -0.772 . . . . 0.0 109.63 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.75 -46.21 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.95 . . . . 0.0 109.712 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.12 -43.94 93.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.06 -1.025 . . . . 0.0 109.309 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tpt -62.73 -43.88 97.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -65.41 -42.94 92.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' B' ' 140' ' ' MET . 26.3 m-20 -62.85 -40.61 98.0 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.409 -0.807 . . . . 0.0 109.097 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.09 -49.97 65.7 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.441 -0.787 . . . . 0.0 109.066 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.514 ' OG1' HD11 ' A' ' 131' ' ' ILE . 69.8 m -62.91 -44.27 96.54 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.389 -0.82 . . . . 0.0 109.083 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.3 mmm -62.1 -38.13 87.73 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 109.3 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -62.21 -46.57 88.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 109.104 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 55.1 tp -65.32 -43.44 91.0 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.784 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.7 t80 -60.99 -42.24 98.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.421 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.5 t-20 -61.78 -38.66 88.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.66 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.69 -42.86 99.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.0 109.876 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.728 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 32.0 mmtp -64.32 -45.11 89.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.784 HD11 ' CE2' ' A' ' 101' ' ' TYR . 69.4 mt -65.5 -36.7 84.62 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 26.2 tttp -61.37 -46.37 90.47 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.453 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.6 mt-30 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.779 HD11 ' CE1' ' A' ' 157' ' ' TYR . 6.5 tp -57.84 -32.71 67.89 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.643 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 50.5 tttt -58.75 -40.66 84.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.765 -0.585 . . . . 0.0 110.113 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -169.34 -22.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.252 -0.905 . . . . 0.0 110.552 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.2 156.71 1.48 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.92 139.4 67.79 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.837 2.358 . . . . 0.0 112.704 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 167' ' ' GLY . 2.5 m-90 -106.17 135.58 47.39 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -153.87 173.23 16.19 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.912 -1.118 . . . . 0.0 110.636 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.42 -39.32 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.25 -42.53 77.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.631 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' HD2' ' A' ' 104' ' ' LYS . 41.9 tp -62.28 -36.95 83.68 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 108.975 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.3 tttt -56.84 -47.57 80.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.494 -0.754 . . . . 0.0 110.055 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.857 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.728 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 5.2 t -63.23 -38.44 91.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.249 -0.907 . . . . 0.0 110.314 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 121' ' ' LEU . 91.1 mt -61.08 -39.33 89.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.911 -1.118 . . . . 0.0 109.069 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.896 ' NE1' HD21 ' A' ' 158' ' ' LEU . 54.0 m95 -61.64 -37.24 83.27 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.043 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -43.76 94.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.432 -0.793 . . . . 0.0 109.678 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.556 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 37.3 m -60.55 -39.51 88.2 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.714 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.01 -42.76 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.056 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.82 -41.13 99.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.271 -0.893 . . . . 0.0 110.325 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.48 -40.29 94.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.46 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 151' ' ' ILE . 28.2 m-85 -64.41 -43.81 93.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.071 -1.018 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -61.08 -36.2 79.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.62 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -67.27 -44.52 79.11 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 109.687 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.602 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.1 mt -59.45 -41.93 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -0.973 . . . . 0.0 110.106 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 147' ' ' LEU . 92.6 mt -68.3 -44.94 74.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.088 -1.008 . . . . 0.0 110.257 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.58 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.2 t60 -70.31 -43.16 70.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.398 -0.814 . . . . 0.0 111.371 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 134' ' ' LEU . 84.8 mt -59.51 -33.63 71.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.121 -0.987 . . . . 0.0 111.722 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -142.53 63.31 1.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.695 -1.253 . . . . 0.0 111.002 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -63.28 -37.7 88.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.022 . . . . 0.0 109.488 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.18 -19.56 59.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 111.379 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -92.26 0.24 57.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.67 -1.269 . . . . 0.0 110.001 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.7 mt -116.67 129.93 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.102 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.48 159.68 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 0.0 109.586 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.35 -40.38 95.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.27 -0.894 . . . . 0.0 109.597 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.87 -44.84 91.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.89 -37.93 88.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.381 -0.825 . . . . 0.0 109.304 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.6 m -61.26 -40.08 92.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 109.648 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.79 -42.89 85.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -62.55 -39.86 94.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.33 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 132' ' ' LEU . 87.9 mt -63.79 -41.22 97.98 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.43 -0.794 . . . . 0.0 109.775 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.89 -38.76 86.8 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.681 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.7 tttp -62.39 -40.69 97.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.018 . . . . 0.0 108.595 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.24 -43.49 98.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 108.818 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -65.81 -46.0 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 16.4 mmtt -61.1 -36.92 80.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 154' ' ' LEU . 2.7 t80 -55.86 -44.28 77.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.23 -43.94 80.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.261 -0.899 . . . . 0.0 108.713 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -59.35 -44.1 92.73 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.531 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.884 HG21 HD12 ' B' ' 166' ' ' ILE . 90.7 mt -70.15 -49.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 120.967 -1.083 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.779 ' CE1' HD11 ' A' ' 108' ' ' LEU . 2.3 m-85 -66.21 -35.8 81.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.113 -0.992 . . . . 0.0 110.932 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 1.015 HD23 HD11 ' B' ' 175' ' ' LEU . 27.0 tp -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.607 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.61 -39.93 73.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.281 -0.887 . . . . 0.0 109.507 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -60.48 -39.21 86.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 109.338 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.46 -36.47 76.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 108.494 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.47 -28.7 69.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.505 -0.747 . . . . 0.0 109.399 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -80.77 -16.03 54.87 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.16 -0.962 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.5 11.81 79.41 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.59 -29.81 61.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.538 -0.977 . . . . 0.0 109.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.32 131.81 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.164 -0.96 . . . . 0.0 108.758 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.46 ' C ' ' CE3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.069 0 CA-C-O 118.068 -1.406 . . . . 0.0 109.709 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' B' ' 130' ' ' ILE . 85.8 mt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.485 ' N ' HG22 ' B' ' 128' ' ' ILE . 62.9 m-20 -75.11 19.82 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 18.9 tt -64.14 -41.73 93.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.543 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.2 m-20 -75.13 -40.81 59.5 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.733 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 135' ' ' ASP . 80.5 mttt -66.15 -40.36 90.52 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.409 0.623 . . . . 0.0 110.027 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -47.37 79.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.263 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.734 HE22 HD12 ' A' ' 22' ' ' ILE . 13.4 mm100 -68.51 -35.41 77.45 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.606 -0.684 . . . . 0.0 110.099 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 136' ' ' MET . 51.2 p30 -155.1 -131.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.069 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.536 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 87.3 mtp -97.72 -168.91 1.75 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.872 . . . . 0.0 109.921 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.428 HE22 ' HD3' ' B' ' 132' ' ' LYS . 98.1 mm-40 -54.93 -27.75 45.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.449 -0.782 . . . . 0.0 109.541 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -50.04 149.14 2.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 109.801 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.37 166.34 12.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.526 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 67.2 mtm -57.18 -39.87 76.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.92 . . . . 0.0 109.483 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.44 -33.87 75.67 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.99 -38.29 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 108.877 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.513 ' N ' HD12 ' B' ' 143' ' ' LEU . 9.8 mp -57.44 -34.14 68.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.98 -30.39 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.84 -38.55 72.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' GLN . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 95.1 mt-30 -59.4 -35.85 74.74 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -32.69 82.07 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.66 -38.6 69.81 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.966 -1.314 . . . . 0.0 107.522 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 74.3 tt0 -60.55 -33.12 72.21 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.693 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.8 tt -54.24 -43.8 71.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.81 -40.15 91.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.433 ' OE1' ' C ' ' B' ' 152' ' ' GLU . 12.2 tm-20 -62.3 -40.0 94.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 0.0 109.601 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -65.85 -51.28 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.0 110.004 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.49 HD11 ' OH ' ' A' ' 153' ' ' TYR . 3.2 mm? -67.46 -32.54 73.46 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 108.99 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.18 86.78 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 0.0 108.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.643 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.8 mtp -63.32 -32.06 73.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.051 -1.031 . . . . 0.0 108.524 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.3 t-20 -77.53 3.61 13.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.513 -0.742 . . . . 0.0 109.299 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.7 t-20 85.59 101.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.73 -33.51 70.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.421 -0.799 . . . . 0.0 109.175 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' SER . . . . . 0.492 ' OG ' ' OD1' ' B' ' 158' ' ' ASN . 83.2 p -58.53 -19.05 34.34 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -57.01 102.22 0.2 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.9 tp10 -100.84 153.33 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -1.152 . . . . 0.0 109.871 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.681 HD11 ' HG3' ' A' ' 149' ' ' LYS . 29.6 mt -52.87 -31.78 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.418 -0.801 . . . . 0.0 109.314 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 164' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 92.4 m-20 -59.95 -23.59 63.69 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.318 -0.864 . . . . 0.0 109.941 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.66 -22.49 58.86 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.928 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.884 HD12 HG21 ' A' ' 156' ' ' ILE . 5.6 pt -107.97 138.64 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.218 -0.926 . . . . 0.0 109.346 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 167' ' ' SER . . . . . 0.557 ' O ' HD12 ' B' ' 171' ' ' LEU . 69.7 m -57.79 76.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.5 t0 -61.39 -36.38 80.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.915 . . . . 0.0 110.304 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.36 80.77 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.094 -1.004 . . . . 0.0 111.33 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -70.69 -44.37 67.11 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.847 -1.158 . . . . 0.0 109.546 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.634 HD13 HG23 ' A' ' 156' ' ' ILE . 13.2 mt -61.23 -38.64 87.38 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.731 -0.606 . . . . 0.0 109.855 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.6 m-20 -66.47 -43.74 84.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.05 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.396 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.1 -30.41 70.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.037 -1.04 . . . . 0.0 109.855 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 1.015 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -66.25 -43.79 85.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -63.02 -41.3 99.52 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.012 -1.055 . . . . 0.0 109.538 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.46 61.05 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.094 -1.003 . . . . 0.0 108.924 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 162' ' ' ALA . 34.7 tp -63.75 -37.9 89.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -60.25 -40.59 90.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 109.595 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -60.42 -35.94 76.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 4.1 tm-20 -67.67 -44.55 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.875 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.412 ' CG ' ' OE1' ' B' ' 181' ' ' GLU . 28.4 m-20 -76.25 -35.39 58.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 110.195 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.47 173.3 10.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.266 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.406 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.71 123.21 49.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.455 -0.778 . . . . 0.0 109.158 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.799 HD22 ' N ' ' B' ' 185' ' ' LEU . 2.7 mm? -91.04 137.36 26.57 Favored Pre-proline 0 C--N 1.302 -1.478 0 O-C-N 121.265 -0.897 . . . . 0.0 108.923 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 N--CA 1.491 1.361 0 C-N-CA 122.15 1.9 . . . . 0.0 112.193 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.58 78.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 0.0 109.516 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -60.34 -35.63 76.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.292 -0.88 . . . . 0.0 109.584 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.5 t30 -60.21 -38.07 82.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.13 -39.43 92.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.16 95.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.905 . . . . 0.0 109.819 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 48.7 ttt-85 -59.79 -41.2 90.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.939 . . . . 0.0 109.118 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.7 t -60.61 -39.91 82.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.29 -46.96 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.256 -0.902 . . . . 0.0 109.011 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.54 80.14 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.525 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 91.5 m -61.57 -38.62 88.19 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.26 80.43 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.6 -31.89 71.98 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.8 -41.08 94.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.377 -0.827 . . . . 0.0 109.558 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -63.91 -38.88 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.375 -0.828 . . . . 0.0 109.751 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.2 -39.66 91.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.054 -1.029 . . . . 0.0 108.955 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.76 -32.39 71.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.446 -0.784 . . . . 0.0 109.457 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.95 -5.1 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.904 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.96 4.89 62.96 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 20' ' ' LEU . 63.2 mt -95.65 60.99 2.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.978 -1.307 . . . . 0.0 109.28 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.54 85.3 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.62 HD11 ' HE2' ' A' ' 79' ' ' MET . 79.8 mt -57.64 -43.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.321 . . . . 0.0 109.7 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.83 -49.68 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.64 81.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 88.5 t80 -58.71 -48.9 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.381 -1.07 . . . . 0.0 109.891 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 37.7 m-85 -67.31 -35.13 78.81 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.116 -0.99 . . . . 0.0 109.821 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.2 mt -64.33 -40.85 96.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.467 HE22 HG21 ' A' ' 55' ' ' THR . 96.3 mt-30 -60.45 -39.52 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.901 -1.124 . . . . 0.0 108.506 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.07 -38.79 91.94 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 34' ' ' LEU . 65.2 t80 -64.52 -44.35 91.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.554 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.04 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 110.382 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.08 -47.9 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 0.0 110.286 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.5 mt-10 -64.29 -33.03 74.89 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.345 -0.847 . . . . 0.0 109.745 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.767 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.89 -46.94 87.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 109.876 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.16 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.41 -0.806 . . . . 0.0 109.667 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.98 -34.43 77.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.353 -0.842 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.9 p -67.73 -16.5 64.17 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -78.68 125.8 29.86 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.668 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.93 -34.76 78.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.319 -0.863 . . . . 0.0 109.551 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -96.74 125.95 41.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.93 143.37 49.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.361 -0.837 . . . . 0.0 109.571 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 50.2 m -114.11 160.23 19.17 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.9 -34.92 57.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.924 -1.11 . . . . 0.0 108.475 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.89 -42.59 73.21 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.27 -0.894 . . . . 0.0 109.868 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -72.25 -42.78 65.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.82 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 m -63.5 -42.9 98.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.24 80.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.25 -41.21 98.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 109.624 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.47 87.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.162 -0.961 . . . . 0.0 109.333 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -61.79 -45.67 92.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.409 -0.807 . . . . 0.0 110.316 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.9 -38.76 73.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.2 mt -64.0 -37.43 87.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.094 -1.004 . . . . 0.0 109.733 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.6 -39.96 81.89 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.062 . . . . 0.0 109.261 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.85 -43.0 99.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.269 -0.895 . . . . 0.0 109.188 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.467 HG21 HE22 ' A' ' 28' ' ' GLN . 56.0 m -66.72 -46.4 75.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.244 -0.91 . . . . 0.0 109.696 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.8 mt -61.76 -49.44 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.1 -39.98 95.23 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.72 78.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.217 -0.927 . . . . 0.0 108.91 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.1 t80 -61.61 -47.24 86.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.464 -0.773 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' GLY . 33.3 tttt -62.81 -37.9 88.58 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.429 -0.794 . . . . 0.0 109.393 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.35 -34.99 78.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 0.0 109.238 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.27 -31.13 69.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.62 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 63' ' ' ILE . 5.3 mt -122.82 9.48 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.457 -0.777 . . . . 0.0 109.957 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.29 -38.16 61.31 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.8 1.75 65.41 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.876 -1.367 . . . . 0.0 109.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.68 -28.63 1.4 Allowed 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.64 -30.97 71.76 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.97 83.0 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.422 -0.799 . . . . 0.0 109.277 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.64 -44.49 77.22 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.32 -39.23 92.16 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -159.97 97.05 1.26 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.59 7.55 46.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.639 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.7 -76.59 0.49 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 109.954 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.9 p -67.89 -39.43 83.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.381 -0.824 . . . . 0.0 111.43 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.08 -36.99 72.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.581 -1.324 . . . . 0.0 109.967 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 85.0 t60 -60.43 -45.16 94.63 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.2 -0.938 . . . . 0.0 109.639 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.89 -41.29 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HE2' HD11 ' A' ' 22' ' ' ILE . 9.5 ttt -58.34 -35.86 72.55 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.07 -32.81 71.29 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.479 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.597 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.1 m -56.89 -37.02 70.79 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 67.6 mt -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 109.109 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -85.12 -45.85 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.178 -0.951 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.43 ' ND1' ' ND2' ' A' ' 80' ' ' ASN . 77.9 m80 -72.48 -47.34 49.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 111.055 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -83.6 99.87 10.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.905 -1.122 . . . . 0.0 109.899 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 84' ' ' HIS . 4.0 mp0 -64.91 -35.73 82.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.426 -0.797 . . . . 0.0 110.426 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.89 -48.42 81.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.124 -0.985 . . . . 0.0 110.395 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' HD13 ' B' ' 130' ' ' ILE . 44.6 tttp -67.14 -40.49 86.75 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.768 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.22 -37.61 86.0 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -46.77 67.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.547 -0.72 . . . . 0.0 109.487 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.3 -47.3 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' B' ' 134' ' ' GLN . 41.4 t80 -62.64 -43.83 97.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.35 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.83 -43.75 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -65.16 -41.63 94.49 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.484 -0.76 . . . . 0.0 109.39 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.17 -49.32 67.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.294 -0.879 . . . . 0.0 108.958 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.1 m -61.72 -44.64 96.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.416 -0.803 . . . . 0.0 109.113 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.4 -39.72 94.16 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.25 -0.906 . . . . 0.0 109.234 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.6 m -63.88 -46.33 85.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.364 -0.835 . . . . 0.0 109.039 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD21 ' SG ' ' A' ' 124' ' ' CYS . 54.4 tp -66.19 -45.19 81.67 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 105' ' ' LEU . 44.8 t80 -61.65 -43.42 98.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.569 -0.707 . . . . 0.0 109.415 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.3 t-20 -62.29 -37.9 87.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.335 -0.853 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -62.77 -42.62 99.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 121' ' ' LEU . 51.8 mmtt -64.19 -44.93 90.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.031 -1.043 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 101' ' ' TYR . 44.0 mt -66.01 -36.79 84.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 0.0 108.432 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.573 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.0 tttp -61.03 -46.15 91.9 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.77 -36.77 84.17 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.99 -32.92 68.35 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.8 tttt -59.08 -41.42 87.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.766 -0.584 . . . . 0.0 109.93 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.2 m-20 -166.97 -4.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -67.21 157.14 51.77 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.68 138.23 63.15 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.765 2.31 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.433 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.0 135.29 47.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.065 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -154.88 172.21 18.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.06 -1.025 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.66 -38.82 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.721 -0.612 . . . . 0.0 109.457 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.413 ' HG3' HH21 ' A' ' 119' ' ' ARG . 51.3 ttm -56.64 -42.75 79.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.071 -1.018 . . . . 0.0 108.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.51 -35.92 80.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.253 -0.904 . . . . 0.0 108.917 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.474 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.2 tttt -57.23 -47.01 82.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 110.091 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.413 HH21 ' HG3' ' A' ' 116' ' ' MET . 74.0 mtm180 -66.09 -40.57 90.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.395 -0.816 . . . . 0.0 109.894 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 9.0 m -61.94 -38.95 90.38 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.435 -0.791 . . . . 0.0 109.945 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 104' ' ' LYS . 88.2 mt -61.6 -42.65 99.18 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.119 -0.988 . . . . 0.0 109.21 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.867 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.1 m95 -62.65 -37.91 88.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 108.651 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.467 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.11 -40.1 94.06 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.66 -0.65 . . . . 0.0 109.46 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.568 ' SG ' HD21 ' A' ' 100' ' ' LEU . 63.2 m -63.86 -40.12 95.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.545 HG23 HG23 ' A' ' 151' ' ' ILE . 94.1 mt -58.57 -42.15 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.895 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.78 -40.01 86.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 0.0 109.935 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.51 -40.08 95.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.427 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.697 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.9 m-85 -64.79 -43.82 91.98 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.093 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -61.15 -36.61 80.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.73 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.645 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 84.2 m -65.08 -43.01 93.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.209 -0.932 . . . . 0.0 109.896 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.2 mt -59.2 -43.92 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 110.087 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 147' ' ' LEU . 81.1 mt -68.69 -44.49 73.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.958 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.592 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.1 t60 -69.46 -45.67 68.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.505 -0.747 . . . . 0.0 110.983 -179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 89.8 mt -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.472 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -136.69 60.06 1.67 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.849 -1.157 . . . . 0.0 110.757 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -62.8 -36.48 83.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.0 109.674 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.67 -23.72 59.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.364 -0.835 . . . . 0.0 111.473 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.461 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.2 t-20 -92.35 0.09 57.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.666 -1.271 . . . . 0.0 110.145 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.404 HD13 HD23 ' A' ' 132' ' ' LEU . 72.5 mt -118.03 125.96 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.506 -0.746 . . . . 0.0 109.187 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -71.14 159.59 34.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.61 -40.11 92.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.0 m -65.05 -46.3 81.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.913 . . . . 0.0 109.442 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.7 p -66.57 -31.97 73.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 0.0 108.911 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.518 HG23 HD22 ' A' ' 132' ' ' LEU . 47.1 m -62.35 -41.02 98.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.468 -0.77 . . . . 0.0 109.039 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -59.01 -37.97 78.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.482 -0.761 . . . . 0.0 109.318 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 t -61.46 -42.83 99.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 0.0 109.233 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 132' ' ' LEU . 91.2 mt -65.88 -41.49 91.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.367 -0.833 . . . . 0.0 109.527 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.42 -36.87 81.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -39.99 94.59 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.274 -0.891 . . . . 0.0 109.006 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -61.22 -42.39 98.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.0 109.189 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.2 mt -65.96 -40.66 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.333 -0.854 . . . . 0.0 108.826 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.6 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.2 mmtt -61.09 -40.11 92.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.59 -0.694 . . . . 0.0 109.895 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 40.9 t80 -57.45 -43.66 84.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.96 -41.23 95.65 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -58.71 -43.87 90.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.425 -0.797 . . . . 0.0 109.649 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.47 -50.6 49.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -66.99 -35.72 80.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 110.35 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.867 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 m -65.4 -45.37 84.26 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.492 -0.755 . . . . 0.0 109.207 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.66 -38.95 89.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.556 -0.715 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -63.82 -41.56 97.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.495 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.604 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.34 -24.64 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.794 . . . . 0.0 109.69 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.556 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.3 mtpt -84.05 -3.97 58.43 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.332 -0.855 . . . . 0.0 109.824 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.72 12.2 84.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -74.99 -28.63 60.62 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.279 -1.13 . . . . 0.0 109.896 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -106.52 132.92 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.0 109.234 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 CA-C-O 118.018 -1.434 . . . . 0.0 109.586 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.532 ' C ' ' H ' ' B' ' 130' ' ' ILE . 70.8 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -76.28 20.13 0.22 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.45 -42.83 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.598 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.7 m-20 -75.13 -41.07 59.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.504 -0.878 . . . . 0.0 108.844 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -65.73 -41.09 92.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.533 0.683 . . . . 0.0 109.652 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.13 -47.42 80.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.462 -0.774 . . . . 0.0 109.646 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.479 ' NE2' HD13 ' A' ' 82' ' ' LEU . 13.9 mm100 -71.25 -37.86 71.94 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.681 -0.637 . . . . 0.0 109.894 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.6 ' OD2' HD21 ' B' ' 143' ' ' LEU . 54.0 t0 -150.02 89.49 1.6 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 110.041 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.37 -30.02 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 109.679 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -55.56 -37.65 68.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 0.0 110.771 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' OD1' ' OD2' ' B' ' 135' ' ' ASP . 50.4 p30 -164.38 -160.36 0.53 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.787 -1.196 . . . . 0.0 110.628 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' B' ' 131' ' ' ASP . 75.7 mm-40 -101.7 164.87 11.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.457 -0.777 . . . . 0.0 109.92 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 89.3 mtp -57.94 -42.31 84.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.052 -1.03 . . . . 0.0 109.312 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.6 mm? -63.77 -36.48 84.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.158 -0.964 . . . . 0.0 108.773 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.183 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.6 HD21 ' OD2' ' B' ' 135' ' ' ASP . 68.2 mt -57.8 -36.22 71.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.014 -1.054 . . . . 0.0 108.662 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.3 mt -68.49 -31.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.948 -1.095 . . . . 0.0 108.294 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.69 -37.88 77.03 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' GLN . . . . . 0.522 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 92.7 mt-30 -59.43 -35.5 74.15 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.32 -34.36 87.91 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.245 -1.942 . . . . 0.0 108.245 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -56.12 -38.86 71.35 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.965 -1.315 . . . . 0.0 107.814 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.573 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.54 -33.7 73.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.686 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.1 tt -54.99 -44.98 74.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.8 -40.54 95.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.173 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -62.5 -39.23 92.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.58 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.436 HG22 ' HD2' ' A' ' 109' ' ' LYS . 34.3 t -64.44 -50.63 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.889 . . . . 0.0 110.287 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.83 -33.36 75.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.137 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.01 95.9 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.397 -0.814 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.0 mtp -64.62 -38.84 92.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.075 -1.016 . . . . 0.0 109.45 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.4 t-20 -60.87 -37.95 83.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.366 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.81 109.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.504 -0.748 . . . . 0.0 109.028 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.89 -35.12 70.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 46.9 p -82.61 1.97 35.58 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.62 97.94 0.06 OUTLIER Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -121.69 154.78 36.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.559 -0.965 . . . . 0.0 109.08 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.716 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -54.48 -33.4 59.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.181 -0.95 . . . . 0.0 109.339 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.33 -33.02 70.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.325 -0.859 . . . . 0.0 109.575 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.4 -23.61 57.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.657 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 41.2 mt -101.77 134.79 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.202 -0.936 . . . . 0.0 108.92 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 20.5 t -60.09 69.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -64.56 -38.08 89.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 110.62 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.81 77.21 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.11 -0.994 . . . . 0.0 111.253 -178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -43.0 67.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.899 -1.126 . . . . 0.0 109.808 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.19 -38.28 90.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.527 -0.733 . . . . 0.0 110.184 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.6 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.8 m-20 -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.13 -0.981 . . . . 0.0 110.477 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.36 85.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.105 -0.997 . . . . 0.0 109.862 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.556 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -66.07 -37.35 85.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 110.119 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 158' ' ' LEU . 18.8 tp -66.62 -36.18 81.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.999 -1.063 . . . . 0.0 110.524 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.034 -1.041 . . . . 0.0 108.436 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.79 -41.55 71.5 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.604 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.8 mt -67.1 -37.81 84.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.166 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.26 -42.44 77.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.106 -0.996 . . . . 0.0 109.136 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.02 -38.68 86.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.348 -0.845 . . . . 0.0 109.043 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.04 -43.14 79.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.408 -0.808 . . . . 0.0 109.333 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 35.5 m-20 -73.2 -33.42 65.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.475 -0.765 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.41 173.59 8.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.52 -0.738 . . . . 0.0 109.223 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.413 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.57 123.32 49.23 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.438 -0.789 . . . . 0.0 109.146 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.809 HD22 ' N ' ' B' ' 185' ' ' LEU . 2.7 mm? -91.06 138.04 26.18 Favored Pre-proline 0 C--N 1.302 -1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 108.932 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 N--CA 1.493 1.443 0 C-N-CA 122.156 1.904 . . . . 0.0 112.217 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.61 78.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.302 -0.874 . . . . 0.0 109.434 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -60.08 -36.03 76.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.44 -36.69 78.82 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.215 -0.928 . . . . 0.0 109.376 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.946 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.14 -39.5 92.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.391 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.29 91.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.699 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttt85 -60.13 -42.68 95.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -42.14 92.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.22 -46.3 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 0.0 109.2 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.51 82.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 108.971 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -61.77 -38.56 88.49 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.99 82.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.1 -31.49 71.17 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.466 -0.771 . . . . 0.0 109.095 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.47 -40.24 90.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.407 -0.808 . . . . 0.0 109.116 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -63.72 -36.74 84.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.398 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.71 -41.78 95.9 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.111 -0.993 . . . . 0.0 108.801 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -60.1 -30.4 69.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.43 -10.64 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.469 -0.769 . . . . 0.0 109.666 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.14 4.75 62.75 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 79.6 mt -96.94 60.33 1.73 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.236 . . . . 0.0 109.181 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.19 78.44 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.7 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.7 mt -57.73 -43.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.299 . . . . 0.0 109.625 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.56 -49.72 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.952 -1.093 . . . . 0.0 108.68 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.87 -32.46 79.69 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.2 t80 -58.86 -48.46 81.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.404 -1.056 . . . . 0.0 109.832 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.7 m-85 -67.51 -36.25 80.69 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.107 -0.995 . . . . 0.0 110.207 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.421 HE22 HG21 ' A' ' 55' ' ' THR . 94.9 mt-30 -62.51 -40.21 96.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.07 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.1 -39.91 90.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.462 -0.774 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 4.9 t80 -64.04 -45.7 87.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.816 . . . . 0.0 110.081 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.301 -0.874 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.04 -51.03 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.98 -1.075 . . . . 0.0 109.883 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -67.06 -30.31 70.33 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 tp -60.24 -43.45 96.06 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.69 -46.36 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.355 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.83 -36.13 82.9 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.544 -0.723 . . . . 0.0 109.704 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.5 p -67.85 -14.61 63.1 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -89.43 124.93 34.92 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.357 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.37 -35.17 78.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -83.02 125.64 31.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.991 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -145.69 142.47 29.03 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.842 . . . . 0.0 109.587 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.43 ' H ' ' HB3' ' A' ' 45' ' ' MET . 28.3 t -114.17 158.41 21.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.83 -35.24 56.86 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.195 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.5 -42.24 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.399 -0.813 . . . . 0.0 109.54 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.43 ' HB3' ' H ' ' A' ' 42' ' ' SER . 8.5 tpt -69.69 -42.61 73.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.104 -0.997 . . . . 0.0 109.555 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.8 m -61.32 -41.7 97.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.469 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.95 77.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.756 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.25 -39.45 92.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.0 109.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.65 92.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.56 -45.97 91.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.409 -0.807 . . . . 0.0 110.411 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.39 -37.68 75.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.483 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.47 -37.07 85.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.831 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 66.1 mt -58.48 -38.94 78.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -60.91 -41.07 95.42 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.248 -0.908 . . . . 0.0 109.038 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 HG21 HE22 ' A' ' 28' ' ' GLN . 39.4 m -66.88 -44.64 80.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.75 -51.2 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.95 -38.18 87.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.78 85.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.917 . . . . 0.0 109.078 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -68.04 -48.95 64.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.6 tttt -64.32 -39.8 94.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.127 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -62.87 -33.79 76.01 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.88 -31.17 68.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 63' ' ' ILE . 76.1 mt -124.77 9.98 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.531 -0.73 . . . . 0.0 109.917 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.97 -37.23 44.39 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.25 0.91 65.06 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.07 -37.93 75.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.418 . . . . 0.0 108.691 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.92 -29.77 0.83 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.86 -31.27 72.4 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -60.05 -36.07 76.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.333 -0.855 . . . . 0.0 109.221 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -39.15 90.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.291 -0.881 . . . . 0.0 109.344 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -58.58 -40.86 84.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.471 -0.768 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -126.49 -62.93 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.528 -0.732 . . . . 0.0 109.073 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 68.03 -20.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.522 -0.736 . . . . 0.0 109.912 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 72' ' ' SER . 24.3 mttm -91.05 -80.85 0.33 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.054 -1.029 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.9 p -68.1 -34.47 76.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.848 . . . . 0.0 110.548 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 63' ' ' ILE . 29.5 tp -67.76 -37.29 81.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.748 -1.22 . . . . 0.0 109.667 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.435 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.0 t60 -60.43 -45.44 93.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.221 -0.925 . . . . 0.0 109.534 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.642 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.19 -41.22 88.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.226 -0.921 . . . . 0.0 108.723 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.7 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.2 ttt -58.54 -36.3 73.66 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.534 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.19 -32.83 71.45 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.534 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 30.8 m -57.02 -38.41 73.08 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.3 mt -60.51 -41.05 93.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.551 -0.718 . . . . 0.0 109.814 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.418 HG23 ' CE2' ' A' ' 25' ' ' TYR . 93.7 mt -84.63 -45.06 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.203 -0.936 . . . . 0.0 111.464 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.429 ' ND1' ' ND2' ' A' ' 80' ' ' ASN . 76.0 m80 -74.22 -46.53 41.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 111.164 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.55 100.13 8.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.142 . . . . 0.0 109.573 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.38 -36.71 85.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -62.74 -47.63 82.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.228 -0.92 . . . . 0.0 110.314 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' B' ' 130' ' ' ILE . 48.6 tttp -65.97 -41.63 90.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.139 -0.975 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.13 -38.01 89.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.372 -0.83 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -44.45 70.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 109.579 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.64 -41.23 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.247 -0.908 . . . . 0.0 109.778 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -65.42 -45.06 85.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.975 -1.078 . . . . 0.0 109.526 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.252 -0.905 . . . . 0.0 108.795 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -42.63 94.39 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' B' ' 140' ' ' MET . 47.0 m-20 -63.14 -41.44 99.29 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.285 -0.884 . . . . 0.0 109.139 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -65.66 -49.52 68.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.315 -0.866 . . . . 0.0 108.896 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.493 ' OG1' HD11 ' A' ' 131' ' ' ILE . 62.7 m -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.5 mmm -63.63 -39.39 94.22 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.296 -0.878 . . . . 0.0 109.242 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 27.7 m -63.52 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.396 -0.815 . . . . 0.0 109.166 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 60.0 tp -65.59 -44.99 84.91 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.742 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 46.0 t80 -60.63 -41.45 94.92 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.62 -0.675 . . . . 0.0 109.514 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.14 -39.0 88.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 110.16 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.2 -40.08 95.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 110.044 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 28.3 mmtt -64.74 -45.49 86.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 109.44 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 33.3 mt -67.64 -36.74 81.34 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.0 tttp -61.06 -46.31 91.19 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.8 mt-30 -63.61 -36.82 85.07 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.3 tp -58.15 -32.57 68.31 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.665 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 73.0 tttt -59.16 -41.63 88.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.778 -0.576 . . . . 0.0 109.87 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.6 m-20 -167.05 -5.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.235 -0.916 . . . . 0.0 111.094 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.62 157.28 50.52 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.27 137.91 63.5 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.78 2.32 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.442 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.07 135.66 47.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.428 -0.795 . . . . 0.0 109.019 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -155.27 173.11 17.09 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.056 -1.027 . . . . 0.0 110.385 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.62 -38.72 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.716 -0.615 . . . . 0.0 109.354 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.16 -42.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.892 -1.13 . . . . 0.0 108.773 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 117' ' ' LEU . 36.0 tp -62.45 -36.15 81.51 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.298 -0.876 . . . . 0.0 108.98 178.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 81.6 tttt -57.15 -47.61 80.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.0 109.858 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.21 -39.08 86.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.462 -0.773 . . . . 0.0 109.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.582 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.9 t -61.99 -39.77 93.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 0.0 109.944 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 104' ' ' LYS . 89.2 mt -61.75 -40.1 93.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -0.975 . . . . 0.0 109.278 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.911 ' NE1' HD21 ' A' ' 158' ' ' LEU . 52.7 m95 -61.95 -37.45 84.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.41 -0.807 . . . . 0.0 109.396 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.92 94.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.387 -0.821 . . . . 0.0 109.7 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.6 m -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.273 -0.892 . . . . 0.0 109.695 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 HG23 ' A' ' 151' ' ' ILE . 95.2 mt -58.5 -42.02 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.865 . . . . 0.0 110.019 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.0 -41.19 97.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.0 110.136 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.03 -38.74 89.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.328 -0.858 . . . . 0.0 110.354 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.679 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.5 m-85 -64.76 -43.02 94.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.041 -1.037 . . . . 0.0 110.41 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.5 p -65.08 -31.75 73.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.024 -1.047 . . . . 0.0 109.933 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -68.79 -42.86 76.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.607 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.22 -42.68 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.076 -1.015 . . . . 0.0 110.217 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 HD12 ' A' ' 147' ' ' LEU . 82.2 mt -66.89 -44.99 79.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.9 t60 -70.13 -41.99 73.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 111.139 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 134' ' ' LEU . 80.4 mt -60.01 -33.35 71.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.191 -0.943 . . . . 0.0 111.588 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -143.08 61.88 1.4 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.275 . . . . 0.0 111.076 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -62.46 -38.48 89.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.007 -1.058 . . . . 0.0 109.153 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -69.11 -26.21 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.636 -0.665 . . . . 0.0 111.356 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.465 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -91.65 0.74 57.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.742 -1.224 . . . . 0.0 110.507 -178.492 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.1 mt -117.57 127.33 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.131 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.63 159.99 33.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.214 -0.929 . . . . 0.0 109.492 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.19 -38.54 91.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.205 -0.934 . . . . 0.0 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.2 m -64.85 -45.04 87.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.17 -38.33 90.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.394 -0.816 . . . . 0.0 109.354 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.547 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.06 -39.95 91.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.451 -0.78 . . . . 0.0 109.545 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.84 -41.92 83.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -0.833 . . . . 0.0 109.69 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.81 -40.25 94.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.0 109.415 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 132' ' ' LEU . 87.1 mt -65.03 -41.34 95.33 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.348 -0.845 . . . . 0.0 109.684 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.02 -36.78 80.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.483 -0.761 . . . . 0.0 109.487 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.19 -40.6 96.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.96 . . . . 0.0 109.136 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.41 -42.25 98.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.24 -0.912 . . . . 0.0 109.02 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.8 mt -66.31 -43.21 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.326 -0.859 . . . . 0.0 108.808 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.585 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.7 mmtt -61.16 -39.93 91.98 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.575 -0.703 . . . . 0.0 109.68 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.734 ' OH ' HD11 ' B' ' 154' ' ' LEU . 32.2 t80 -58.28 -43.78 88.17 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -40.84 91.07 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -59.03 -44.1 91.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.535 -0.728 . . . . 0.0 109.401 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.437 ' CG2' HG21 ' B' ' 166' ' ' ILE . 88.9 mt -69.6 -49.96 54.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.154 -0.966 . . . . 0.0 110.61 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.802 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.41 -34.94 79.07 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.193 -0.942 . . . . 0.0 110.886 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.913 HD23 HD11 ' B' ' 175' ' ' LEU . 36.5 tp -59.2 -35.16 73.1 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.68 ' HB2' HD23 ' B' ' 175' ' ' LEU . 2.3 t -66.01 -50.08 65.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.559 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -59.42 -38.55 80.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.633 -0.667 . . . . 0.0 109.704 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.558 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -65.48 -41.73 92.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -73.0 -24.23 60.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.683 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -84.12 -3.7 58.28 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.268 -0.895 . . . . 0.0 109.741 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 12.66 84.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.95 -29.09 60.83 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -1.155 . . . . 0.0 109.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.558 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.3 mm -106.42 132.04 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.915 . . . . 0.0 109.188 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.62 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.589 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.589 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 37.9 m-20 -74.88 19.96 0.13 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.642 HD12 HG22 ' A' ' 78' ' ' VAL . 19.6 tt -64.27 -41.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.537 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.3 m-20 -75.75 -43.08 48.44 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 135' ' ' ASP . 81.2 mttt -63.93 -40.47 96.53 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.451 0.643 . . . . 0.0 109.738 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.58 -47.85 82.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.753 . . . . 0.0 110.167 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -74.08 -36.27 64.27 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.653 -0.654 . . . . 0.0 110.408 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' B' ' 136' ' ' MET . 47.0 p30 -152.03 -130.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.064 -1.022 . . . . 0.0 110.093 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.587 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 70.0 mtm -103.25 -179.24 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' B' ' 138' ' ' ASP . 61.4 tt0 -49.24 -25.43 2.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.458 -0.776 . . . . 0.0 109.966 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' B' ' 137' ' ' GLN . 88.9 m-20 -42.27 147.19 0.26 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 109.553 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -92.74 155.75 17.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 109.635 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.613 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 76.7 mtp -57.13 -44.45 83.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.108 -0.995 . . . . 0.0 109.368 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.42 -34.71 78.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.334 -0.853 . . . . 0.0 108.759 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.2 -35.94 76.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.95 -33.45 68.85 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.96 -30.8 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.135 -0.978 . . . . 0.0 108.85 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.64 -36.73 76.95 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -59.44 -35.76 74.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.28 83.84 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.075 -2.01 . . . . 0.0 108.075 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.83 -38.65 70.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.965 -1.315 . . . . 0.0 107.752 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.2 tt0 -60.37 -33.54 72.6 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.692 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.9 tt -54.57 -44.37 72.89 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.98 -40.22 92.6 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.358 -0.839 . . . . 0.0 109.252 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.28 -38.06 87.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.424 -0.798 . . . . 0.0 109.673 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.12 -50.31 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 110.347 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.734 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.4 mm? -66.5 -33.37 75.55 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.13 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.82 96.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.665 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.2 mtp -66.48 -39.47 88.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.144 -0.972 . . . . 0.0 109.641 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.91 -39.23 88.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.853 . . . . 0.0 109.506 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.528 ' N ' ' OD1' ' B' ' 158' ' ' ASN . 1.3 p30 171.04 106.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.443 -0.786 . . . . 0.0 109.116 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.9 -36.38 72.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.115 -0.99 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.2 m -85.17 6.94 23.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.76 97.89 0.06 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -120.99 153.15 37.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.499 -1.001 . . . . 0.0 109.206 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.663 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -55.63 -33.59 64.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.171 -0.956 . . . . 0.0 109.367 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.22 -31.66 69.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.356 -0.84 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.15 -27.34 59.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 110.031 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.5 mt -98.76 133.25 41.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 108.883 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.5 m -60.14 69.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.378 -0.826 . . . . 0.0 110.194 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -62.89 -38.42 90.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.67 77.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.049 -1.032 . . . . 0.0 111.286 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.28 68.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.902 -1.124 . . . . 0.0 109.724 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 159' ' ' SER . 52.9 mt -64.15 -37.59 88.0 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.589 -0.694 . . . . 0.0 109.797 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.585 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.9 m-20 -58.6 -41.15 85.16 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.114 -0.991 . . . . 0.0 110.494 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.21 80.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.994 -1.066 . . . . 0.0 110.072 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.4 -33.97 77.21 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.708 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.913 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.56 -41.73 99.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 110.553 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.35 -38.79 92.51 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.017 -1.052 . . . . 0.0 109.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.75 65.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 108.982 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 162' ' ' ALA . 94.2 mt -65.28 -33.27 75.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 109.513 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.86 -41.78 83.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.95 . . . . 0.0 108.711 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 180' ' ' GLN . . . . . 0.509 ' HB3' HD11 ' B' ' 185' ' ' LEU . 84.0 mt-30 -61.44 -32.92 72.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.206 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -61.16 -40.87 95.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.422 -0.799 . . . . 0.0 110.371 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -93.53 -17.93 22.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.211 -0.93 . . . . 0.0 110.233 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.77 173.5 7.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.1 m -109.04 123.32 48.96 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.285 -0.884 . . . . 0.0 109.449 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' B' ' 180' ' ' GLN . 6.0 mp -91.24 142.35 27.08 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 186' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 185' ' ' LEU . 77.6 Cg_exo . . . . . 0 C--N 1.31 -1.494 0 C-N-CA 122.286 1.991 . . . . 0.0 112.223 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.53 77.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -60.16 -36.08 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.323 -0.861 . . . . 0.0 109.518 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -60.43 -36.91 79.3 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.115 -0.99 . . . . 0.0 109.461 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.82 94.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 0.0 109.423 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.08 95.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.06 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.657 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 50.4 t -60.86 -43.66 96.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.16 -46.25 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.884 . . . . 0.0 109.571 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.91 89.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.5 m -62.34 -40.62 96.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.31 86.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.137 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -60.99 -32.25 71.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.85 . . . . 0.0 109.262 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -60.92 -43.12 99.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -0.822 . . . . 0.0 109.558 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 23' ' ' ILE . 86.2 m-85 -64.5 -38.97 92.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -61.01 -42.62 98.81 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.115 -0.991 . . . . 0.0 108.725 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -61.45 -30.14 70.4 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.58 -11.95 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.6 -0.688 . . . . 0.0 109.699 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.33 5.04 63.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.5 mt -96.09 70.22 2.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.296 . . . . 0.0 109.396 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -32.94 84.34 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.67 HD11 ' CE ' ' A' ' 79' ' ' MET . 77.2 mt -57.76 -43.32 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.026 -1.279 . . . . 0.0 109.915 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' CE2' ' A' ' 15' ' ' PHE . 35.1 mm -66.72 -46.26 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.747 -1.221 . . . . 0.0 108.579 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.61 -33.18 81.05 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 73.8 t80 -58.82 -49.78 76.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 45.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.091 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 27' ' ' LEU . 95.3 mt -64.03 -43.13 96.51 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.157 -0.964 . . . . 0.0 110.19 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' OE1' HG21 ' A' ' 55' ' ' THR . 96.7 mt-30 -60.83 -38.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.928 -1.107 . . . . 0.0 108.401 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.8 tp -65.5 -39.34 91.76 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.75 ' CE1' HD11 ' A' ' 34' ' ' LEU . 32.5 t80 -63.77 -44.13 94.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.496 -0.753 . . . . 0.0 109.879 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -65.45 -37.99 88.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.11 -48.07 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.116 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.3 mt-10 -64.04 -31.65 72.92 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.412 -0.805 . . . . 0.0 109.842 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.75 HD11 ' CE1' ' A' ' 30' ' ' TYR . 5.8 mp -61.02 -47.74 85.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.185 -0.947 . . . . 0.0 109.603 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.99 -45.93 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.295 -0.878 . . . . 0.0 109.309 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.68 -38.67 91.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 109.69 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -79.04 1.47 23.92 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.46 -0.775 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -98.28 127.12 44.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.339 -0.851 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.95 -35.68 80.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.96 125.72 39.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.215 -0.928 . . . . 0.0 110.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -139.72 120.15 14.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.827 . . . . 0.0 108.996 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 p -75.37 160.1 30.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.65 -35.09 65.57 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.958 -1.089 . . . . 0.0 108.656 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.87 -41.31 78.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.322 -0.861 . . . . 0.0 109.855 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.22 -38.42 78.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.022 -1.049 . . . . 0.0 110.021 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -58.15 -44.15 87.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.091 -1.006 . . . . 0.0 108.692 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.36 70.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.86 -39.74 92.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 109.613 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.56 85.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.101 -1.0 . . . . 0.0 109.554 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -62.93 -46.11 89.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.59 -40.68 92.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.74 -37.77 88.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.88 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.57 -40.55 83.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 110.002 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -39.66 88.98 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.243 -0.911 . . . . 0.0 109.321 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.418 HG21 ' OE1' ' A' ' 28' ' ' GLN . 85.8 m -61.65 -37.68 84.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.449 -0.782 . . . . 0.0 110.191 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.53 -51.5 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.276 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.3 -38.47 85.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.72 94.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 109.353 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 64.5 t80 -70.56 -49.05 52.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.353 -0.842 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.6 ' O ' ' N ' ' A' ' 64' ' ' GLY . 65.7 tttt -63.57 -40.75 97.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.302 -0.874 . . . . 0.0 109.355 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -63.13 -33.81 76.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 108.56 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.15 -31.2 68.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.597 -0.689 . . . . 0.0 109.178 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 63' ' ' ILE . 66.1 mt -124.04 9.21 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.519 -0.738 . . . . 0.0 109.733 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.86 -37.4 69.73 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.5 62.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -37.87 72.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.326 . . . . 0.0 108.83 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -134.87 -30.12 1.1 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.21 -31.4 72.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.85 78.4 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.431 -0.793 . . . . 0.0 109.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -42.56 85.92 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.046 -1.034 . . . . 0.0 108.379 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.71 -39.13 90.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.4 t -160.55 96.57 1.16 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.1 p30 -97.32 8.72 44.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.11 -75.61 0.54 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.968 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -67.05 -38.7 86.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 111.101 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 63' ' ' ILE . 33.0 tp -65.35 -35.11 79.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.598 -1.314 . . . . 0.0 109.487 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -59.37 -45.13 92.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.18 -43.53 97.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.67 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.7 ttt -59.7 -36.55 76.75 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 9.0 t-20 -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -57.39 -37.95 73.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' OE1' ' B' ' 134' ' ' GLN . 69.6 mt -59.84 -41.15 90.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.519 -0.738 . . . . 0.0 109.581 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -83.89 -45.19 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 111.623 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 42.3 m-70 -77.14 -47.08 21.34 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.047 . . . . 0.0 111.24 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -78.81 98.11 6.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.926 -1.109 . . . . 0.0 109.255 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.15 -36.34 83.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.232 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -47.38 84.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.166 -0.959 . . . . 0.0 110.335 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 61.1 tttm -65.93 -41.92 90.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.68 -38.01 88.69 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.002 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -46.14 72.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 0.0 109.752 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.9 mt -64.48 -46.37 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.78 -43.55 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -42.24 99.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.803 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.84 -40.22 94.56 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.41 -0.807 . . . . 0.0 108.882 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.31 -42.59 99.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.598 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.897 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.3 m -63.44 -45.83 89.1 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.336 -0.852 . . . . 0.0 108.868 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.28 -39.48 92.63 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.187 -0.946 . . . . 0.0 109.889 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m -62.72 -46.74 86.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 0.0 109.489 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 39.7 tp -67.05 -43.26 83.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.189 -0.944 . . . . 0.0 108.469 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.563 -0.711 . . . . 0.0 109.553 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' B' ' 150' ' ' LEU . 51.5 t-20 -63.26 -41.42 99.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.58 -39.92 92.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.085 -1.01 . . . . 0.0 110.026 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 121' ' ' LEU . 19.8 mmtm -64.43 -41.98 96.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.08 -1.013 . . . . 0.0 109.475 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 HD11 ' B' ' 150' ' ' LEU . 9.4 mp -67.06 -36.11 81.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.036 -1.04 . . . . 0.0 108.723 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.578 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.3 tttp -60.12 -42.28 94.42 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.9 mt-30 -61.64 -36.76 81.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.4 tp -58.08 -32.94 68.54 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 31.1 tttt -59.33 -40.49 86.48 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.688 -0.632 . . . . 0.0 110.24 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.495 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.4 m-20 -168.77 -23.24 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.229 -0.919 . . . . 0.0 110.583 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -50.05 156.41 2.17 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.55 140.91 84.14 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.791 2.327 . . . . 0.0 112.488 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.463 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.8 m-90 -105.85 137.0 44.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 108.922 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -154.82 173.46 16.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.955 -1.091 . . . . 0.0 110.421 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.1 t -55.4 -38.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.55 -42.42 74.64 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.103 -0.998 . . . . 0.0 108.75 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.583 HD13 ' OE1' ' A' ' 107' ' ' GLN . 51.7 tp -62.17 -38.35 88.72 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.304 -0.873 . . . . 0.0 109.016 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.2 tttt -58.14 -47.57 82.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.509 -0.745 . . . . 0.0 110.074 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -68.28 -38.29 81.55 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.472 -0.768 . . . . 0.0 110.04 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.1 m -61.47 -40.66 95.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.266 -0.897 . . . . 0.0 110.434 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.8 mt -62.28 -41.11 98.21 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.858 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.3 m95 -60.48 -39.05 86.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.386 -0.821 . . . . 0.0 109.07 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -42.51 90.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.385 -0.822 . . . . 0.0 109.415 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.2 m -60.93 -39.85 91.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.381 -0.824 . . . . 0.0 109.748 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.55 HG23 HG23 ' A' ' 151' ' ' ILE . 92.2 mt -57.79 -42.67 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -0.874 . . . . 0.0 109.944 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.16 -40.82 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.98 -38.91 90.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.865 . . . . 0.0 110.394 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' A' ' 151' ' ' ILE . 17.3 m-85 -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.9 m -62.11 -35.36 78.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.764 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 82.1 m -63.38 -44.8 93.7 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 110.065 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.567 HD11 ' OG1' ' A' ' 97' ' ' THR . 90.1 mt -58.97 -44.88 92.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.159 -0.963 . . . . 0.0 110.478 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 147' ' ' LEU . 84.0 mt -67.1 -41.76 85.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.0 -1.062 . . . . 0.0 110.002 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.595 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 5.3 t60 -70.53 -45.74 64.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.388 -0.82 . . . . 0.0 110.571 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.76 -34.42 75.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.177 -0.952 . . . . 0.0 111.132 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -141.38 53.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.869 -1.144 . . . . 0.0 110.621 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -37.46 87.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.016 -1.053 . . . . 0.0 108.963 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.77 -26.09 66.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.506 -0.747 . . . . 0.0 110.597 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -91.5 1.14 57.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.29 129.78 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.109 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -70.6 159.9 33.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.205 -0.935 . . . . 0.0 109.498 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -39.5 94.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -0.904 . . . . 0.0 109.524 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.3 m -62.71 -45.0 94.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m -63.75 -38.91 92.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 0.0 109.379 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.593 HG23 HD22 ' A' ' 132' ' ' LEU . 42.6 m -61.76 -39.81 92.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.385 -0.822 . . . . 0.0 109.488 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.79 -41.14 81.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.345 -0.847 . . . . 0.0 109.613 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.6 t -61.88 -41.67 98.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.342 -0.849 . . . . 0.0 109.334 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 132' ' ' LEU . 83.2 mt -64.65 -41.57 96.02 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.378 -0.826 . . . . 0.0 109.671 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.02 -36.5 79.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 20.7 tttp -61.77 -40.36 94.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -0.923 . . . . 0.0 109.082 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 150' ' ' ARG . 84.2 mtt-85 -62.34 -42.01 99.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.392 -0.818 . . . . 0.0 109.273 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 128' ' ' PHE . 79.2 mt -66.04 -42.73 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 108.938 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 5.8 mmtt -60.86 -41.16 95.37 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.634 -0.666 . . . . 0.0 109.841 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.672 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.1 t80 -57.08 -43.56 82.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.381 -0.824 . . . . 0.0 109.381 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 121' ' ' LEU . 2.6 m -64.42 -42.2 96.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.197 -0.939 . . . . 0.0 109.09 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -58.75 -44.01 90.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.358 -0.839 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.89 -50.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.176 -0.953 . . . . 0.0 110.658 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.815 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.1 m-85 -67.09 -36.08 81.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.238 -0.913 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.858 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.2 tp -59.96 -36.29 76.79 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 m -65.67 -43.24 89.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.52 -0.738 . . . . 0.0 110.051 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.474 ' NZ ' ' CZ ' ' A' ' 157' ' ' TYR . 50.0 mtmt -59.69 -37.78 79.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.171 -0.956 . . . . 0.0 109.492 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.9 mt -58.89 -35.12 72.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.039 -1.038 . . . . 0.0 108.233 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.565 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -65.11 -30.38 71.32 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.64 -0.663 . . . . 0.0 109.69 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' B' ' 171' ' ' LEU . 52.9 mttm -79.99 -15.99 56.09 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.055 -1.028 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.25 11.9 79.89 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.77 -28.66 60.84 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.475 -1.014 . . . . 0.0 110.039 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.93 131.32 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.011 . . . . 0.0 109.023 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.463 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.971 -1.461 . . . . 0.0 109.605 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' B' ' 130' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.51 ' N ' HG22 ' B' ' 128' ' ' ILE . 78.0 m-20 -75.4 19.64 0.17 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.631 HD12 HG22 ' A' ' 78' ' ' VAL . 20.8 tt -65.64 -43.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.567 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -69.84 -41.72 74.55 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -69.95 -40.17 75.6 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.462 0.649 . . . . 0.0 110.366 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.65 -47.82 83.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.735 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.666 ' OE1' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -68.85 -38.29 79.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.469 -0.769 . . . . 0.0 110.211 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 53.0 p30 -166.09 160.5 16.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.997 -1.064 . . . . 0.0 110.159 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.471 -0.768 . . . . 0.0 109.666 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.529 ' HG3' HD11 ' B' ' 143' ' ' LEU . 92.7 mm-40 -46.58 150.93 0.62 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.227 -0.921 . . . . 0.0 109.648 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 139' ' ' GLU . 54.6 p30 -85.05 -125.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.403 -0.81 . . . . 0.0 110.344 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.584 ' N ' ' OD1' ' B' ' 138' ' ' ASP . 96.0 mt-10 -56.09 142.83 35.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.373 -0.83 . . . . 0.0 110.47 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.63 -36.32 78.34 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.632 0.73 . . . . 0.0 109.668 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.519 HD22 ' N ' ' B' ' 141' ' ' LEU . 4.1 mm? -56.5 -33.67 66.22 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.843 -1.161 . . . . 0.0 108.36 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.86 -36.22 76.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.422 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' B' ' 137' ' ' GLN . 4.4 mm? -58.89 -35.98 73.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 108.909 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.98 -31.24 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 119.196 -1.002 . . . . 0.0 108.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.7 -38.78 75.81 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 91.1 mt-30 -59.65 -36.18 75.89 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.62 -33.21 84.2 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.8 -39.35 73.97 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.273 . . . . 0.0 108.191 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.578 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.0 tt0 -60.78 -34.25 74.21 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 105' ' ' LEU . 6.7 tt -55.3 -43.48 74.85 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.23 -40.17 89.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.295 -0.878 . . . . 0.0 108.849 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 9.4 tm-20 -62.32 -37.9 87.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -64.3 -50.6 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 110.445 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.6 mm? -66.3 -33.26 75.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.84 97.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.333 -0.854 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.3 mtp -65.11 -40.7 94.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 109.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.82 -42.93 98.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 19.8 t-20 -177.49 107.42 0.06 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -57.25 -36.25 70.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.112 -0.993 . . . . 0.0 108.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -85.41 6.53 26.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.93 97.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.9 tp10 -124.28 152.63 42.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.507 -0.996 . . . . 0.0 108.939 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.634 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.29 -34.12 63.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 109.507 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 164' ' ' ASP . . . . . 0.408 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.5 m-20 -59.17 -33.77 71.32 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.32 -0.862 . . . . 0.0 109.34 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.76 -21.04 57.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -101.2 132.11 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.257 -0.902 . . . . 0.0 108.94 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.6 m -59.6 70.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.209 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 54.1 t0 -62.98 -36.61 84.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.84 77.2 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.168 -0.957 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -42.55 68.89 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.736 -1.228 . . . . 0.0 109.763 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.7 mt -63.19 -38.52 91.48 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 93.2 m-20 -61.1 -42.68 98.96 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.168 -0.958 . . . . 0.0 110.426 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.92 86.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.995 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.53 -37.06 84.19 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 110.281 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.481 HD11 HD23 ' A' ' 158' ' ' LEU . 18.9 tp -67.81 -35.09 78.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.921 -1.112 . . . . 0.0 110.495 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.0 m-20 -62.23 -40.64 96.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.943 -1.098 . . . . 0.0 109.347 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.68 67.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.07 -1.019 . . . . 0.0 108.476 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 162' ' ' ALA . 31.5 tp -64.73 -38.53 91.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.67 -41.64 77.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.698 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 180' ' ' GLN . . . . . 0.459 ' O ' HD21 ' B' ' 185' ' ' LEU . 83.6 mt-30 -61.71 -36.34 80.63 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.2 -0.938 . . . . 0.0 109.257 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.39 -47.19 74.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 110.31 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 27.9 m-20 -70.48 -37.86 74.3 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -80.43 172.88 13.19 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.582 -0.699 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.468 ' C ' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.26 120.97 44.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.323 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.735 ' N ' HD23 ' B' ' 185' ' ' LEU . 0.2 OUTLIER -91.14 142.05 26.92 Favored Pre-proline 0 C--N 1.301 -1.504 0 C-N-CA 119.378 -0.929 . . . . 0.0 108.863 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo . . . . . 0 C--N 1.307 -1.641 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.58 78.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.351 -0.843 . . . . 0.0 109.578 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -60.76 -32.87 72.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.0 109.259 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.53 -37.94 82.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 0.0 109.148 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.25 -39.48 92.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 109.418 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.37 97.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.89 -41.65 92.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 84.3 t -60.95 -40.03 84.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.232 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.74 -47.57 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -0.917 . . . . 0.0 109.146 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.8 78.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.883 . . . . 0.0 108.675 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.424 HG21 ' SG ' ' A' ' 123' ' ' CYS . 55.8 m -61.56 -38.4 87.36 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.45 81.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.271 -0.893 . . . . 0.0 108.597 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -60.8 -31.51 70.89 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.441 -0.787 . . . . 0.0 109.016 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.61 -40.51 92.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.419 -0.801 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 23' ' ' ILE . 62.7 m-85 -63.76 -37.71 88.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.459 -0.776 . . . . 0.0 109.632 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.92 -41.57 96.42 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.09 -1.007 . . . . 0.0 109.021 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.23 -30.83 69.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.447 -0.783 . . . . 0.0 109.191 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.53 -8.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.335 -0.853 . . . . 0.0 109.79 -179.464 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.06 5.16 62.61 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.004 -1.093 . . . . 0.0 110.453 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 20' ' ' LEU . 69.8 mt -96.33 63.52 2.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.381 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -32.85 80.55 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.72 -43.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.979 -1.307 . . . . 0.0 109.757 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.3 mm -67.33 -48.4 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.058 -1.026 . . . . 0.0 108.824 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.56 80.32 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.2 t80 -58.66 -49.39 77.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -1.093 . . . . 0.0 109.942 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.479 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 44.7 m-85 -67.25 -36.2 81.14 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.943 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.4 mt -63.83 -41.87 97.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 0.0 110.156 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.411 HE22 HG21 ' A' ' 55' ' ' THR . 95.7 mt-30 -61.03 -40.62 94.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.956 -1.09 . . . . 0.0 108.65 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.65 -38.54 89.63 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.72 ' O ' HD13 ' A' ' 34' ' ' LEU . 66.2 t80 -63.38 -43.73 96.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.552 -0.717 . . . . 0.0 110.469 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.79 92.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.147 -0.971 . . . . 0.0 110.24 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.36 -47.3 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 110.228 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -63.9 -31.57 72.8 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.377 -0.827 . . . . 0.0 109.931 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.4 mp -60.94 -46.85 89.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 80.6 mt -63.84 -47.04 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.19 -37.24 86.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.461 -0.774 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -68.17 -14.46 63.0 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.54 127.33 36.94 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.399 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -35.92 81.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -91.99 125.92 36.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.884 . . . . 0.0 110.026 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -132.05 142.53 49.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.386 -0.821 . . . . 0.0 109.387 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -109.49 157.37 19.05 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -52.13 -34.55 44.95 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.964 -1.085 . . . . 0.0 108.305 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.52 -42.8 82.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.376 -0.827 . . . . 0.0 110.02 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.4 mmm -75.36 -42.38 54.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.883 -1.136 . . . . 0.0 109.637 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.0 m -61.91 -44.95 95.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 109.54 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.55 77.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.75 -40.57 97.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.825 . . . . 0.0 109.689 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -65.3 -39.71 92.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 0.0 109.656 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -60.02 -45.95 91.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.363 -0.836 . . . . 0.0 110.504 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.44 -38.0 79.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.643 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.73 -36.7 85.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 83.1 mt -58.08 -40.02 80.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.05 -40.86 97.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.242 -0.911 . . . . 0.0 109.131 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 HG21 HE22 ' A' ' 28' ' ' GLN . 41.4 m -65.96 -44.16 85.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 110.036 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.75 -51.38 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.977 . . . . 0.0 109.43 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.87 -39.64 93.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.66 88.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.105 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.8 t80 -67.72 -48.8 65.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.369 -0.832 . . . . 0.0 109.729 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.0 tttt -63.84 -40.42 96.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.836 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.11 -33.78 76.18 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -59.05 -31.39 68.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.094 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -123.44 10.04 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.804 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.52 -37.75 61.41 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.64 3.6 64.38 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.31 -37.09 81.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.906 -1.349 . . . . 0.0 109.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.13 -29.44 1.11 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.1 -30.55 71.68 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.41 -0.807 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -43.7 80.32 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.176 -0.953 . . . . 0.0 108.451 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.27 -39.08 92.14 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 72' ' ' SER . 13.2 p -161.03 97.08 1.13 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -97.71 7.32 46.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 109.665 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -95.32 -75.92 0.51 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 110.117 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.7 p -67.37 -38.88 85.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 111.247 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 63' ' ' ILE . 37.2 tp -67.93 -34.84 77.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.516 -1.365 . . . . 0.0 109.739 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.2 t60 -59.8 -45.13 93.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.172 -0.955 . . . . 0.0 109.596 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.62 -42.56 95.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.295 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.466 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.7 ttt -58.28 -36.09 72.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.582 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.34 -32.55 71.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.493 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.582 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.2 m -56.93 -37.6 71.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.0 mt -60.36 -40.36 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.55 -0.719 . . . . 0.0 109.54 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.4 mt -85.88 -45.21 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.255 -0.903 . . . . 0.0 111.413 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.427 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 77.2 m80 -74.37 -48.13 29.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.901 . . . . 0.0 111.069 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.73 98.46 9.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.444 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.1 mp0 -64.49 -35.12 79.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.931 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.8 tt0 -60.53 -47.7 85.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.171 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' CE ' HD13 ' B' ' 130' ' ' ILE . 44.3 tttp -67.07 -41.86 85.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.039 -1.038 . . . . 0.0 108.95 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.46 -37.82 87.39 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -45.75 70.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.583 -0.698 . . . . 0.0 109.376 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.32 -45.69 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.542 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.38 -44.61 96.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.43 -42.95 99.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.88 -39.7 94.79 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.29 -44.1 97.3 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.586 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -48.27 71.09 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 59.3 m -62.27 -44.4 96.62 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.489 -0.757 . . . . 0.0 109.398 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.98 -39.62 94.54 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.183 -0.948 . . . . 0.0 109.716 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -63.25 -46.49 86.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.88 -46.75 77.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.929 . . . . 0.0 108.962 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.805 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 32.7 t80 -63.27 -38.63 91.93 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.497 -0.752 . . . . 0.0 109.754 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.3 -38.73 80.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.27 -39.52 92.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 0.0 109.777 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 25.2 mmtt -63.09 -45.63 91.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.142 -0.974 . . . . 0.0 109.583 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 62.2 mt -68.04 -36.74 80.4 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.192 -0.942 . . . . 0.0 108.505 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 27.2 tttp -60.83 -45.85 92.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.7 mt-30 -63.07 -36.79 84.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 157' ' ' TYR . 7.9 tp -58.34 -33.0 69.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB2' HG13 ' B' ' 153' ' ' VAL . 61.2 tttt -59.09 -40.77 86.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.71 -0.619 . . . . 0.0 109.975 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.2 m-20 -168.48 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.216 -0.928 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -63.34 157.82 39.97 Favored Glycine 0 N--CA 1.494 2.548 0 O-C-N 120.652 -1.28 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.82 138.69 70.26 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.893 2.395 . . . . 0.0 112.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.441 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.4 m-90 -106.15 136.06 46.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.357 -0.839 . . . . 0.0 109.069 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -156.11 172.63 18.1 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.042 -1.037 . . . . 0.0 110.335 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -55.69 -38.31 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.698 -0.626 . . . . 0.0 109.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.4 ttp -54.83 -42.42 71.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.838 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 tp -62.54 -35.73 80.36 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.28 -0.887 . . . . 0.0 108.984 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 77.5 tttt -58.01 -47.41 83.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 110.021 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -67.81 -39.52 83.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 109.895 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.594 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 7.6 t -62.78 -40.01 95.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 109.812 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.227 -0.921 . . . . 0.0 109.584 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.856 ' NE1' HD21 ' A' ' 158' ' ' LEU . 44.2 m95 -61.24 -37.44 83.08 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.214 -0.929 . . . . 0.0 109.076 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' THR . 0.1 OUTLIER -66.67 -40.19 88.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.358 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.01 -39.58 95.2 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.858 . . . . 0.0 109.638 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.428 HG23 HG23 ' A' ' 151' ' ' ILE . 97.5 mt -58.2 -42.36 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.84 -40.53 93.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.53 -39.68 94.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 110.349 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 151' ' ' ILE . 11.4 m-85 -65.59 -42.92 91.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 110.301 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.7 p -63.74 -32.56 74.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.046 -1.034 . . . . 0.0 109.797 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 91.2 m -69.08 -43.03 75.39 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.6 mt -58.91 -44.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.192 -0.943 . . . . 0.0 110.076 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 147' ' ' LEU . 88.5 mt -69.84 -44.78 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.016 -1.052 . . . . 0.0 109.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.584 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.6 t60 -68.39 -43.75 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.541 -0.724 . . . . 0.0 111.022 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.0 mt -60.87 -33.13 72.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.228 -0.92 . . . . 0.0 111.565 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -140.4 60.23 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.78 -1.2 . . . . 0.0 110.944 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -62.01 -38.22 87.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.907 -1.121 . . . . 0.0 109.206 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.21 -27.13 66.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.493 -0.754 . . . . 0.0 111.144 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.444 HD21 ' HG3' ' A' ' 87' ' ' GLU . 49.7 t30 -91.64 1.52 57.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.75 -1.219 . . . . 0.0 110.389 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 132' ' ' LEU . 78.3 mt -118.35 125.97 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.254 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m -70.93 159.93 33.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.351 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -64.85 -38.5 91.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 109.512 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.4 m -65.03 -45.42 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.1 p -65.75 -33.83 76.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -0.85 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.522 HG23 HD22 ' A' ' 132' ' ' LEU . 50.6 m -63.33 -40.77 98.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 109.296 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -58.0 -39.41 78.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.368 -0.832 . . . . 0.0 109.592 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -61.9 -41.78 98.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.282 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.717 HD12 HD21 ' A' ' 132' ' ' LEU . 87.9 mt -67.19 -41.06 86.49 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.721 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.89 -36.58 79.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.401 -0.812 . . . . 0.0 109.394 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -61.63 -40.79 96.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.166 -0.958 . . . . 0.0 108.959 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.562 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 87.3 mtt-85 -62.27 -42.61 99.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 108.988 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.3 mt -65.35 -44.78 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.413 -0.805 . . . . 0.0 108.878 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.592 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 8.0 mmtt -61.21 -40.34 93.61 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 49.5 t80 -57.69 -43.31 85.02 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 2.8 m -64.36 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.338 -0.851 . . . . 0.0 108.924 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.81 -43.99 90.71 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.442 -0.786 . . . . 0.0 109.779 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.87 -50.36 49.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.234 -0.916 . . . . 0.0 110.661 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.148 -0.97 . . . . 0.0 110.498 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.856 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -59.84 -38.53 82.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.139 -0.976 . . . . 0.0 108.485 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.1 t -67.18 -45.32 77.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.363 -0.836 . . . . 0.0 109.593 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.72 -37.79 82.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.527 -0.733 . . . . 0.0 109.531 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -64.27 -42.1 96.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.735 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.589 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.07 -24.31 61.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.378 -0.826 . . . . 0.0 109.669 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.565 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 14.3 mtpt -83.65 -4.48 58.62 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.344 -0.848 . . . . 0.0 109.788 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.25 11.77 85.0 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.97 -29.05 60.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.191 -1.182 . . . . 0.0 109.831 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.8 mm -107.15 132.15 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.075 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 CA-C-O 118.041 -1.422 . . . . 0.0 109.553 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.608 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.608 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 61.4 m-20 -75.28 19.71 0.16 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -63.43 -43.71 98.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.566 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.1 m-20 -75.87 -42.32 49.68 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.742 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -63.4 -39.32 94.18 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.381 0.61 . . . . 0.0 109.894 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.404 HD21 ' CE ' ' A' ' 79' ' ' MET . 1.1 tp -58.15 -47.95 81.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 109.581 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.49 -39.9 62.15 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.723 -0.61 . . . . 0.0 110.087 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.512 ' O ' ' O ' ' B' ' 131' ' ' ASP . 49.7 t0 -173.14 165.52 4.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 0.0 109.501 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.441 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 88.0 mtp -83.38 94.62 8.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.238 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.769 ' NE2' HD11 ' B' ' 143' ' ' LEU . 95.3 mt-30 -133.05 154.46 50.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 109.585 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.14 -71.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.632 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -135.19 154.74 51.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.713 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.65 -38.98 82.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 0.0 109.047 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.552 HD22 ' N ' ' B' ' 141' ' ' LEU . 4.0 mm? -60.58 -33.18 72.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 108.463 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.07 -36.45 75.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.769 HD11 ' NE2' ' B' ' 137' ' ' GLN . 3.0 mm? -58.98 -38.26 78.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 46.7 mt -68.54 -32.17 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.53 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.67 -38.1 71.74 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.26 -36.35 75.34 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.26 81.05 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.82 -39.61 71.63 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.884 -1.362 . . . . 0.0 107.885 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 72.0 tt0 -61.53 -33.48 73.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.599 ' CG ' HD12 ' A' ' 105' ' ' LEU . 7.2 tt -54.75 -44.5 73.68 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.88 -39.83 93.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.25 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 1.5 tm-20 -61.82 -39.39 91.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.447 -0.783 . . . . 0.0 109.835 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.501 HG13 ' HB2' ' A' ' 109' ' ' LYS . 40.1 t -63.54 -50.36 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.027 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.7 mm? -66.86 -34.48 77.89 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.155 -0.965 . . . . 0.0 109.425 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.36 86.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.215 -0.928 . . . . 0.0 109.753 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.56 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 53.3 mtt -68.37 -39.94 81.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.0 109.916 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.93 -42.4 98.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.406 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 16.4 t-20 -176.16 102.75 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.87 -35.72 71.36 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.099 -1.0 . . . . 0.0 109.122 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 42.7 p -84.4 3.96 33.66 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' GLY . . . . . 0.586 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.77 97.79 0.06 OUTLIER Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.5 tp10 -125.03 151.97 44.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.608 -0.936 . . . . 0.0 109.138 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.646 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.31 -35.25 67.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.14 -0.975 . . . . 0.0 109.552 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 164' ' ' ASP . . . . . 0.412 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.8 m-20 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.9 -20.64 57.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.636 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.2 mt -102.93 132.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.229 -0.92 . . . . 0.0 108.933 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 70.8 m -59.02 71.76 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.444 -0.785 . . . . 0.0 110.251 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.5 t0 -65.4 -38.88 91.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.89 76.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.045 -1.035 . . . . 0.0 111.457 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.31 -43.11 67.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.873 -1.142 . . . . 0.0 109.812 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.21 -38.04 89.59 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.57 -0.706 . . . . 0.0 110.231 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.592 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.4 m-20 -60.32 -43.11 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.125 -0.984 . . . . 0.0 110.545 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.44 79.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.091 -1.006 . . . . 0.0 109.878 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.565 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 95.3 mt-10 -64.66 -36.33 83.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.527 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.39 -35.57 80.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.918 -1.114 . . . . 0.0 110.585 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.5 m-20 -61.38 -36.99 81.78 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.948 -1.095 . . . . 0.0 108.349 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.34 -43.26 70.61 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.589 HD13 ' CB ' ' A' ' 162' ' ' ALA . 98.1 mt -66.01 -35.39 80.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.391 -0.818 . . . . 0.0 109.69 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.59 -40.02 71.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.987 -1.071 . . . . 0.0 108.261 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.68 -33.88 74.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.569 -0.707 . . . . 0.0 109.113 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.65 -40.93 96.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.768 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -93.53 -17.59 23.2 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.045 -1.034 . . . . 0.0 110.821 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.9 170.11 9.18 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.08 -1.013 . . . . 0.0 109.513 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.436 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.34 120.72 43.36 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.237 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.801 HD22 ' N ' ' B' ' 185' ' ' LEU . 2.5 mm? -91.77 137.68 25.38 Favored Pre-proline 0 C--N 1.299 -1.601 0 O-C-N 121.391 -0.818 . . . . 0.0 109.015 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.493 1.441 0 C-N-CA 122.131 1.887 . . . . 0.0 112.173 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.444 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 69.7 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -61.56 -35.48 77.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.877 . . . . 0.0 109.428 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.9 -31.85 71.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 1' ' ' MET . 9.1 m120 -60.82 -38.66 86.19 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.24 -0.913 . . . . 0.0 109.278 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.71 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.162 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.58 90.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.22 -0.925 . . . . 0.0 108.912 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.8 -46.29 89.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.381 -0.824 . . . . 0.0 108.876 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.448 HG11 ' HD2' ' A' ' 30' ' ' TYR . 61.8 t -61.79 -39.99 85.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.46 -45.88 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.75 81.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 108.89 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -62.49 -38.82 91.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.462 -0.774 . . . . 0.0 109.214 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.23 91.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.115 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -60.84 -31.69 71.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.354 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -60.67 -41.79 95.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 0.0 109.326 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 23' ' ' ILE . 75.8 m-85 -64.02 -39.16 93.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.311 -0.868 . . . . 0.0 109.785 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.13 -39.74 91.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.026 -1.046 . . . . 0.0 108.984 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -61.02 -31.81 71.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.473 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG11 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.56 -9.48 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.912 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 7.98 61.22 Favored Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.941 -1.123 . . . . 0.0 110.548 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 HG11 ' A' ' 18' ' ' VAL . 38.6 mt -95.8 65.99 2.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.332 . . . . 0.0 109.383 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.35 -33.86 86.12 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.84 -43.62 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.025 -1.28 . . . . 0.0 109.607 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.3 mm -68.24 -47.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.053 -1.029 . . . . 0.0 108.825 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.62 -32.42 78.38 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.1 t80 -58.55 -48.52 80.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.389 -1.065 . . . . 0.0 109.991 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 33.0 m-85 -67.19 -36.31 81.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.161 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.59 -41.36 98.36 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.035 -1.041 . . . . 0.0 109.949 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.35 -39.68 93.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.064 -1.022 . . . . 0.0 109.109 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.25 -39.55 94.19 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.4 -0.812 . . . . 0.0 109.116 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.739 ' CE1' HD11 ' A' ' 34' ' ' LEU . 19.5 t80 -63.21 -42.54 99.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.458 -0.776 . . . . 0.0 110.192 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.73 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.241 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.41 -46.34 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.124 -0.985 . . . . 0.0 110.446 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.056 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -60.63 -47.74 84.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.126 -0.984 . . . . 0.0 109.603 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 87.0 mt -62.26 -43.86 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.34 -33.35 75.52 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.491 -0.756 . . . . 0.0 110.154 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.0 p -67.11 -16.71 64.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 98.8 mt-10 -89.26 122.25 32.33 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.563 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.52 -35.54 80.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 109.691 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -86.02 125.72 33.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.96 142.71 44.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.363 -0.835 . . . . 0.0 109.633 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.7 m -114.11 159.77 19.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.39 54.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.828 -1.17 . . . . 0.0 108.487 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.63 -44.94 66.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.824 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.476 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.3 mtp -68.98 -40.8 78.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.896 -1.128 . . . . 0.0 109.82 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.4 m -62.4 -41.98 99.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.326 -0.859 . . . . 0.0 109.671 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.23 86.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 109.77 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.48 -42.29 99.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 0.0 109.509 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -67.37 -41.95 84.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.436 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.03 -45.78 91.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.31 -38.43 74.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.597 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 56' ' ' ILE . 95.6 mt -64.74 -37.17 86.7 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.85 -39.46 81.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.994 -1.066 . . . . 0.0 109.206 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -61.69 -42.22 98.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.31 -0.869 . . . . 0.0 109.227 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.4 m -64.88 -43.05 94.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.885 . . . . 0.0 109.684 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 52' ' ' LEU . 1.4 mp -56.48 -51.11 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.16 -38.01 87.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.27 -0.894 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.05 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.152 -0.967 . . . . 0.0 109.058 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.98 -48.83 56.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.548 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 64' ' ' GLY . 56.9 tttt -64.01 -39.49 94.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.391 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.9 -34.01 76.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.93 . . . . 0.0 108.586 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.22 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 63' ' ' ILE . 74.5 mt -123.77 13.38 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.664 -0.648 . . . . 0.0 109.749 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.96 -33.43 13.46 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.26 17.73 45.39 Favored Glycine 0 N--CA 1.489 2.174 0 O-C-N 121.202 -1.175 . . . . 0.0 110.527 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.12 -88.41 0.16 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.9 -1.353 . . . . 0.0 108.557 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.7 m -68.93 -34.02 74.69 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.93 -31.25 72.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.627 -0.67 . . . . 0.0 109.364 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -58.02 -37.94 75.27 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.203 -0.936 . . . . 0.0 108.86 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.03 -42.35 98.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -68.84 -40.26 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.539 -0.725 . . . . 0.0 109.191 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 t -165.83 98.97 0.66 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -100.37 7.88 44.01 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.299 -0.875 . . . . 0.0 109.462 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -95.93 -76.65 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.197 -0.94 . . . . 0.0 110.08 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -67.5 -39.33 85.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.34 -0.85 . . . . 0.0 111.259 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD11 HG12 ' A' ' 63' ' ' ILE . 35.0 tp -69.1 -34.91 75.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.663 -1.273 . . . . 0.0 109.909 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.583 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -59.81 -45.07 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.191 -0.943 . . . . 0.0 109.55 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.636 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -62.81 -41.0 90.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.479 ' SD ' HD21 ' B' ' 133' ' ' LEU . 9.9 ttt -58.41 -36.07 73.01 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.04 -32.74 71.19 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 178.609 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -56.61 -37.46 70.72 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.58 -41.32 94.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.4 mt -85.56 -45.33 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.145 -0.972 . . . . 0.0 111.265 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -72.33 -46.14 56.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 111.131 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -82.37 101.45 10.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.885 -1.135 . . . . 0.0 109.583 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -36.72 85.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 138' ' ' ASN . 85.0 tt0 -62.82 -47.66 82.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.2 -0.937 . . . . 0.0 110.41 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -65.87 -41.89 91.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.116 -0.99 . . . . 0.0 109.389 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.48 -37.76 88.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.0 108.759 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -44.83 67.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.426 -0.796 . . . . 0.0 109.592 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.98 -42.76 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.99 -43.93 90.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.058 -1.026 . . . . 0.0 109.598 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.58 -41.72 99.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.006 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.37 -42.71 98.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.451 -0.781 . . . . 0.0 109.061 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' B' ' 140' ' ' MET . 94.2 m-20 -63.36 -40.5 97.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.237 -0.915 . . . . 0.0 109.341 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -65.09 -49.75 68.77 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.007 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.478 ' OG1' HD11 ' A' ' 131' ' ' ILE . 72.9 m -63.46 -45.12 92.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.0 108.961 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.0 mmm -62.69 -39.36 93.76 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 109.352 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -63.32 -46.74 85.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.309 -0.869 . . . . 0.0 109.075 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.04 -45.03 78.68 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.789 ' CE2' HD11 ' A' ' 105' ' ' LEU . 64.6 t80 -61.19 -43.36 99.01 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.581 -0.7 . . . . 0.0 109.351 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.84 -37.73 85.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 0.0 109.796 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.25 -41.93 98.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 110.115 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -64.67 -45.33 87.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 109.458 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TYR . 49.8 mt -65.19 -36.86 85.52 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.184 -0.947 . . . . 0.0 108.547 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.9 tttp -61.62 -46.23 90.72 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -63.38 -36.72 84.65 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 157' ' ' TYR . 6.4 tp -57.94 -32.91 68.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.651 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.3 tttt -58.83 -39.51 81.45 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.726 -0.609 . . . . 0.0 110.046 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.0 m-20 -167.49 -18.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.278 -0.889 . . . . 0.0 110.632 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -54.17 155.34 7.55 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.49 140.22 74.69 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.778 2.319 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.473 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.2 m-90 -106.09 135.8 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -155.52 172.57 18.03 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.01 -1.056 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.48 -39.01 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.85 -42.69 80.14 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.069 -1.02 . . . . 0.0 108.778 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.39 -36.86 83.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.824 . . . . 0.0 108.917 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 87.0 tttt -57.02 -47.48 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.481 -0.762 . . . . 0.0 109.94 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -65.4 -38.61 90.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.485 -0.759 . . . . 0.0 110.002 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.6 p -65.34 -35.47 81.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.192 -0.943 . . . . 0.0 110.1 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 121' ' ' LEU . 87.1 mt -62.37 -39.16 92.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.093 -1.004 . . . . 0.0 109.134 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.891 ' NE1' HD21 ' A' ' 158' ' ' LEU . 56.9 m95 -62.62 -38.42 90.14 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -41.92 99.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.427 -0.796 . . . . 0.0 109.69 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 m -61.93 -39.72 93.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -58.99 -42.53 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.865 . . . . 0.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -62.32 -41.78 98.83 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.195 -0.941 . . . . 0.0 110.501 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.18 -39.39 89.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 0.0 110.663 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.613 ' HB3' HD11 ' A' ' 151' ' ' ILE . 20.0 m-85 -63.73 -42.64 97.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.967 -1.083 . . . . 0.0 110.357 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -62.44 -36.71 83.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.01 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.74 -41.19 92.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.856 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.0 mt -59.42 -44.34 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.045 -1.034 . . . . 0.0 110.431 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 147' ' ' LEU . 81.2 mt -67.03 -41.78 86.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.067 . . . . 0.0 110.019 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.519 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.8 t60 -70.4 -45.92 65.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.493 HD12 ' SG ' ' A' ' 130' ' ' CYS . 91.1 mt -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.213 -0.93 . . . . 0.0 111.395 -178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -144.39 54.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 110.716 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -38.75 92.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.899 -1.125 . . . . 0.0 109.128 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.42 -24.41 65.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.432 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.3 t30 -91.43 1.69 56.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.917 -1.114 . . . . 0.0 110.098 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.02 131.96 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.031 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.31 160.02 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.26 -38.04 89.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.0 m -63.2 -45.06 93.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.373 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 m -63.47 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 0.0 109.338 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 m -61.29 -39.97 92.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.75 -41.87 82.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 0.0 109.531 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.5 m -62.21 -40.51 96.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.235 -0.915 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.489 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -65.03 -41.57 95.15 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.432 -0.792 . . . . 0.0 109.708 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -62.25 -41.41 98.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 108.98 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.84 -42.71 99.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.306 -0.872 . . . . 0.0 109.081 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -66.0 -43.18 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.18 -38.39 86.34 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.611 -0.681 . . . . 0.0 109.764 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.687 ' OH ' HD11 ' B' ' 154' ' ' LEU . 17.1 t80 -60.27 -43.99 95.72 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.419 -0.801 . . . . 0.0 108.932 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -43.3 82.34 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.307 -0.871 . . . . 0.0 108.887 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.12 -44.17 92.0 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.372 -0.83 . . . . 0.0 109.551 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.912 HG21 HD12 ' B' ' 166' ' ' ILE . 89.7 mt -70.04 -48.72 61.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.943 -1.098 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.628 ' CE2' HD11 ' A' ' 108' ' ' LEU . 1.4 m-85 -65.03 -35.73 82.12 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 110.73 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 1.055 HD23 HD11 ' B' ' 175' ' ' LEU . 30.7 tp -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.611 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.36 -39.72 74.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.261 -0.9 . . . . 0.0 109.411 179.131 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.46 -39.05 86.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.11 -36.89 75.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.182 -0.948 . . . . 0.0 108.543 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' B' ' 178' ' ' LEU . . . -64.69 -29.78 70.78 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.499 -0.751 . . . . 0.0 109.643 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -78.43 -16.15 57.89 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.239 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.05 11.12 79.43 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -74.68 -28.44 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.461 -1.023 . . . . 0.0 109.775 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 113' ' ' TRP . 17.4 mm -102.44 132.36 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.118 -0.989 . . . . 0.0 109.065 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.473 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 117.947 -1.474 . . . . 0.0 109.614 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.4 m120 -74.38 20.05 0.12 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.636 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -63.64 -39.71 86.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.514 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -72.22 -40.55 67.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.427 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -73.63 -37.4 65.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 109.704 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' ' 79' ' ' MET . 3.6 tp -58.2 -46.93 84.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 135' ' ' ASP . 4.2 mm-40 -64.62 -38.94 92.73 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.465 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' B' ' 134' ' ' GLN . 6.7 m-20 -178.63 167.26 1.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 109.243 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.444 ' O ' ' C ' ' B' ' 137' ' ' GLN . 70.8 mtm -57.39 -29.05 63.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.888 . . . . 0.0 109.091 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' B' ' 136' ' ' MET . 92.7 mt-30 -41.0 153.77 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.835 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -89.54 -135.79 0.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.879 . . . . 0.0 110.275 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -55.4 144.35 25.79 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.835 . . . . 0.0 110.411 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.476 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.0 mtm -61.59 -37.98 85.88 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.829 0.823 . . . . 0.0 109.322 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 141' ' ' LEU . 93.2 mt -58.28 -33.66 69.68 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 109.073 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.07 -36.19 74.64 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 39.4 mt -58.77 -32.81 69.64 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.94 -30.28 47.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 C-N-CA 119.144 -1.023 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.73 -37.15 78.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -59.46 -35.66 74.5 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.32 83.58 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -55.76 -38.53 69.97 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.8 tt0 -60.35 -33.63 72.7 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.686 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.9 tt -54.9 -44.5 74.19 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.72 -40.53 95.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.382 -0.824 . . . . 0.0 109.246 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.2 tm-20 -62.64 -37.65 87.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.528 -0.732 . . . . 0.0 109.611 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.68 -50.21 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 110.437 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.687 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.9 mm? -66.16 -33.39 75.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.136 -0.977 . . . . 0.0 109.309 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.02 99.0 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.2 -0.938 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.651 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.0 mtp -66.87 -39.39 87.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.612 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.522 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.8 t-20 -60.84 -39.69 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -0.901 . . . . 0.0 109.509 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.522 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 0.8 OUTLIER 169.5 106.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.409 -0.807 . . . . 0.0 109.17 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.231 -0.918 . . . . 0.0 108.974 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.8 p -82.13 1.89 34.01 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.51 98.23 0.07 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -125.88 153.76 43.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.517 -0.99 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.604 ' N ' HD12 ' B' ' 163' ' ' LEU . 8.3 mp -54.34 -35.46 62.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.47 -29.72 70.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.8 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.93 -21.78 58.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.103 -0.998 . . . . 0.0 110.182 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.912 HD12 HG21 ' A' ' 156' ' ' ILE . 4.4 pt -109.65 139.56 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.464 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 167' ' ' SER . . . . . 0.712 ' O ' HD12 ' B' ' 171' ' ' LEU . 29.0 t -60.35 80.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.396 -0.815 . . . . 0.0 110.163 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.487 ' OD1' ' OD2' ' B' ' 172' ' ' ASP . 46.1 t0 -62.6 -36.53 83.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 110.266 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.6 79.19 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.114 -0.991 . . . . 0.0 111.155 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -71.22 -45.19 63.83 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.854 -1.154 . . . . 0.0 109.389 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 156' ' ' ILE . 12.2 mt -60.93 -38.85 87.23 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.752 -0.592 . . . . 0.0 109.934 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -67.46 -44.1 79.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 110.347 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.85 84.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.64 -32.82 74.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 1.055 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -63.15 -43.37 98.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 0.0 110.671 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.53 -40.6 97.45 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.01 -1.056 . . . . 0.0 109.543 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.18 67.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 162' ' ' ALA . 88.5 mt -65.38 -34.86 79.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.289 -0.882 . . . . 0.0 110.079 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.543 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.84 -43.48 85.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.072 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -61.33 -37.31 82.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.388 -0.82 . . . . 0.0 109.461 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.4 tm-20 -69.13 -45.61 69.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 110.08 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.575 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.2 m-20 -72.24 -35.53 68.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.73 173.34 12.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.242 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.37 119.0 38.15 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.375 -0.828 . . . . 0.0 109.267 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.461 HD12 ' N ' ' B' ' 185' ' ' LEU . 6.0 mp -91.42 140.37 25.46 Favored Pre-proline 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 108.99 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo . . . . . 0 C--N 1.312 -1.374 0 C-N-CA 122.23 1.953 . . . . 0.0 112.226 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.73 78.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.438 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -60.91 -34.29 74.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.13 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.8 m120 -61.02 -36.74 80.31 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.262 -0.899 . . . . 0.0 109.104 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.17 -39.62 93.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.487 -0.758 . . . . 0.0 109.428 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.67 75.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.939 . . . . 0.0 109.601 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -59.91 -39.14 84.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 4' ' ' ASN . 65.7 t -60.27 -41.84 88.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.36 -46.38 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.0 109.308 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.77 83.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 108.862 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -61.43 -38.87 88.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.457 -0.777 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.94 84.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.223 -0.923 . . . . 0.0 108.734 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -61.46 -32.21 72.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.366 -0.834 . . . . 0.0 109.272 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.64 -41.23 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -63.69 -37.06 85.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.337 -0.852 . . . . 0.0 109.672 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.99 -42.15 97.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.065 -1.022 . . . . 0.0 108.889 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.72 -30.28 69.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.069 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.36 -10.57 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.51 -0.744 . . . . 0.0 109.723 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.13 4.82 62.73 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' H ' HG12 ' A' ' 18' ' ' VAL . 78.2 mt -95.96 55.3 1.57 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.068 -1.254 . . . . 0.0 109.237 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.72 61.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.561 HG21 ' OE1' ' B' ' 134' ' ' GLN . 5.4 mm -57.64 -43.14 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.02 -1.283 . . . . 0.0 109.37 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.45 -48.03 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.985 -1.072 . . . . 0.0 108.697 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.55 -32.2 77.31 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 83.2 t80 -58.32 -47.98 81.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.357 -1.084 . . . . 0.0 109.769 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 36.7 m-85 -67.42 -36.46 81.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.17 -0.956 . . . . 0.0 110.029 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.89 -41.31 99.38 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.068 -1.02 . . . . 0.0 110.02 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.437 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -62.23 -40.7 97.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 109.012 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.34 -40.36 89.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.371 -0.831 . . . . 0.0 109.368 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 34' ' ' LEU . 10.2 t80 -66.28 -44.92 82.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 0.0 110.316 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.65 85.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.083 -1.011 . . . . 0.0 109.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 t -61.55 -48.75 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.571 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -62.76 -31.21 72.12 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 5' ' ' ALA . 1.3 tp -60.6 -48.05 83.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.465 -0.772 . . . . 0.0 109.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.07 -43.13 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -0.881 . . . . 0.0 109.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.89 -38.52 91.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.365 -0.835 . . . . 0.0 109.603 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 m -78.19 1.44 21.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.413 -0.804 . . . . 0.0 109.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.06 125.71 39.9 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.261 -0.9 . . . . 0.0 109.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.64 -37.1 85.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.896 . . . . 0.0 109.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.09 125.7 34.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.918 . . . . 0.0 110.084 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -139.88 140.96 36.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.342 -0.849 . . . . 0.0 109.576 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 86.0 p -114.12 161.51 17.67 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -52.91 -36.79 59.98 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 108.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -43.1 75.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.221 -0.924 . . . . 0.0 110.129 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.4 mtp -69.82 -41.46 74.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.923 -1.11 . . . . 0.0 109.762 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.4 m -63.49 -43.88 95.98 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.56 -34.63 76.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.444 -0.785 . . . . 0.0 109.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.34 -40.12 95.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.691 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.61 91.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.118 -0.989 . . . . 0.0 109.559 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -61.43 -45.71 93.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.8 . . . . 0.0 110.459 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.57 -38.0 74.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -63.7 -37.0 85.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.0 109.847 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -58.46 -39.48 80.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.939 -1.101 . . . . 0.0 109.244 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.84 -42.18 98.73 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.437 HG21 HE22 ' A' ' 28' ' ' GLN . 43.3 m -66.52 -46.18 77.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -0.874 . . . . 0.0 109.768 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.09 -47.55 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.426 -0.796 . . . . 0.0 109.686 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.68 -38.74 92.02 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.062 -1.024 . . . . 0.0 109.135 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.3 76.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.33 -0.856 . . . . 0.0 108.841 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.3 t80 -65.42 -48.84 71.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.696 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.7 tttt -64.9 -40.45 95.11 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.061 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.06 -33.77 76.15 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.67 66.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 63' ' ' ILE . 75.5 mt -125.0 8.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.532 -0.73 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.2 -37.71 31.4 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.31 0.18 63.35 Favored Glycine 0 N--CA 1.489 2.211 0 O-C-N 121.297 -1.119 . . . . 0.0 110.563 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.73 -37.92 80.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.884 -1.362 . . . . 0.0 108.893 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.54 -29.09 0.7 Allowed 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.31 -31.52 72.14 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.65 -36.29 82.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.391 -0.818 . . . . 0.0 108.918 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.88 -37.69 66.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.908 . . . . 0.0 108.874 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.47 -40.37 86.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.38 -0.825 . . . . 0.0 109.334 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -129.61 -63.2 0.94 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' ALA . 1.2 t0 72.02 -23.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 72' ' ' SER . 72.9 mttt -90.04 -80.24 0.32 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.108 -0.995 . . . . 0.0 109.656 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.1 p -67.64 -33.02 74.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 69' ' ' ALA . 40.8 tp -68.15 -37.62 81.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -61.1 -45.84 93.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.168 -0.957 . . . . 0.0 109.89 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.775 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.12 -40.15 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.066 -1.021 . . . . 0.0 108.68 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.453 ' CE ' HD11 ' A' ' 22' ' ' ILE . 11.3 ttt -57.88 -36.52 72.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.23 -32.47 71.16 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.49 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.67 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 28.0 m -56.85 -38.11 72.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 74.7 mt -60.23 -40.26 89.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.494 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 25' ' ' TYR . 92.5 mt -86.16 -45.32 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.126 -0.984 . . . . 0.0 111.44 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -74.39 -48.13 29.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 0.0 111.235 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -79.04 99.59 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.906 -1.121 . . . . 0.0 109.515 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.436 -0.79 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.58 -47.5 83.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.967 . . . . 0.0 110.175 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HE2' HD13 ' B' ' 130' ' ' ILE . 51.9 tttp -65.64 -43.2 90.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.104 -0.997 . . . . 0.0 109.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.92 -38.01 89.49 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -45.98 74.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.612 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.73 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.572 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CZ ' ' CG ' ' B' ' 134' ' ' GLN . 53.0 t80 -64.64 -43.04 94.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.984 . . . . 0.0 109.702 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 tpt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.181 -0.949 . . . . 0.0 108.815 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.79 -43.93 91.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 45.8 m-20 -62.98 -40.99 99.4 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.087 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.28 -50.07 64.96 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.475 ' OG1' HD11 ' A' ' 131' ' ' ILE . 56.8 m -62.26 -43.64 98.37 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.445 -0.784 . . . . 0.0 108.931 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 83.9 mmm -62.52 -38.34 89.56 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.282 -0.886 . . . . 0.0 109.614 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -63.82 -47.28 81.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.4 tp -67.41 -41.46 84.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.635 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 44.3 t80 -62.36 -41.85 98.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.644 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.0 t-20 -62.23 -39.66 93.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.188 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.173 -0.954 . . . . 0.0 109.928 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -62.58 -45.71 91.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.77 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.963 HD12 HD11 ' B' ' 150' ' ' LEU . 30.5 mt -70.81 -35.41 72.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.239 -0.913 . . . . 0.0 108.556 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.555 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.3 tttp -59.37 -43.45 92.88 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.5 mt-30 -65.14 -36.47 84.35 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.9 tp -58.64 -33.33 69.95 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 66.6 tttt -59.17 -39.07 81.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.71 -0.619 . . . . 0.0 110.135 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.5 m-20 -167.85 -20.43 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.187 -0.946 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.71 156.53 7.46 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.74 141.54 85.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.444 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.6 m-90 -106.1 136.64 45.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 108.913 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.5 p30 -155.21 172.54 18.0 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.963 -1.086 . . . . 0.0 110.401 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.53 HG12 ' NH1' ' A' ' 119' ' ' ARG . 72.5 t -55.55 -39.27 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.0 ttp -56.44 -42.24 77.8 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.901 -1.124 . . . . 0.0 108.423 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.9 tp -62.2 -35.37 78.66 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.37 -0.831 . . . . 0.0 109.036 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.483 ' HE3' HD21 ' B' ' 178' ' ' LEU . 81.4 tttt -57.2 -47.17 81.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.473 -0.767 . . . . 0.0 109.867 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.53 ' NH1' HG12 ' A' ' 115' ' ' VAL . 75.7 mtt85 -67.81 -39.04 84.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.437 -0.789 . . . . 0.0 109.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -60.76 -40.27 91.89 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.308 -0.87 . . . . 0.0 109.982 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -41.04 99.28 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.158 -0.964 . . . . 0.0 109.22 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.863 ' NE1' HD21 ' A' ' 158' ' ' LEU . 48.4 m95 -64.18 -37.72 88.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.11 98.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.4 -0.812 . . . . 0.0 109.899 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.37 -39.63 93.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.295 -0.878 . . . . 0.0 109.69 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.56 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -57.94 -42.16 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -40.88 97.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 110.091 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.86 -40.0 93.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.87 . . . . 0.0 110.41 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.732 ' HB3' HD11 ' A' ' 151' ' ' ILE . 29.3 m-85 -65.25 -42.58 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.008 -1.057 . . . . 0.0 110.329 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -64.42 -31.9 73.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.063 -1.023 . . . . 0.0 109.755 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -69.13 -41.99 76.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.252 -0.905 . . . . 0.0 109.749 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.577 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.4 mt -59.28 -42.64 87.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 110.243 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 147' ' ' LEU . 82.3 mt -68.46 -45.42 72.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 110.134 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.571 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.2 t60 -68.23 -41.9 80.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.921 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 134' ' ' LEU . 81.9 mt -61.12 -31.58 71.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 111.453 -178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -143.33 59.3 1.4 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.69 -1.256 . . . . 0.0 111.266 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -62.19 -38.69 90.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.904 -1.122 . . . . 0.0 109.157 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.66 -28.7 68.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.115 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -91.82 -0.81 57.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.77 -1.206 . . . . 0.0 110.387 -178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.6 mt -118.13 127.31 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.135 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.2 m -70.6 160.02 33.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.45 -38.72 92.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.7 m -64.97 -44.91 87.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -38.72 92.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.386 -0.821 . . . . 0.0 109.42 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.785 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.64 -39.46 91.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.796 . . . . 0.0 109.412 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.95 -40.62 80.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.348 -0.845 . . . . 0.0 109.953 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.8 m -61.43 -40.52 94.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.186 -0.946 . . . . 0.0 109.415 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 132' ' ' LEU . 85.0 mt -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.297 -0.877 . . . . 0.0 109.585 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.68 -36.67 79.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.436 -0.79 . . . . 0.0 109.453 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 17.8 tttp -61.91 -40.54 95.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 108.987 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.66 -42.34 98.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.877 . . . . 0.0 109.115 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.4 mt -66.32 -42.01 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.07 -38.82 87.56 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.612 -0.68 . . . . 0.0 109.964 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.814 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.5 t80 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.0 108.909 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.98 -40.37 91.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.837 . . . . 0.0 108.753 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -58.92 -43.79 91.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.483 -0.761 . . . . 0.0 109.668 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.64 -50.16 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.89 . . . . 0.0 110.641 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.832 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.68 -36.55 82.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 110.477 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.863 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.3 tp -60.05 -37.35 79.57 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 -41.72 90.41 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -59.41 -38.05 79.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.42 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 158' ' ' LEU . 16.5 mt -60.33 -35.21 75.11 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.01 -30.56 71.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.507 -0.746 . . . . 0.0 109.443 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -81.29 -13.13 58.77 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.17 -0.956 . . . . 0.0 109.245 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.47 80.9 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.75 -28.97 60.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.438 -1.036 . . . . 0.0 109.909 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.31 130.99 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.576 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.569 ' C ' ' H ' ' B' ' 130' ' ' ILE . 73.0 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.532 ' N ' HG22 ' B' ' 128' ' ' ILE . 78.0 m-20 -74.94 20.1 0.13 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.775 HD12 HG22 ' A' ' 78' ' ' VAL . 20.1 tt -66.36 -42.84 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.563 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -70.65 -42.29 71.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.711 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -67.25 -44.16 80.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.681 0.753 . . . . 0.0 109.084 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.3 -46.74 82.27 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.779 0.799 . . . . 0.0 109.556 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.561 ' OE1' HG21 ' A' ' 22' ' ' ILE . 1.2 tp-100 -63.2 -38.6 91.82 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.667 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' B' ' 136' ' ' MET . 60.9 t0 -174.63 -125.17 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.352 -0.842 . . . . 0.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' B' ' 137' ' ' GLN . 64.7 mtt -120.79 174.52 6.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.509 -0.744 . . . . 0.0 109.388 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.57 ' CB ' ' O ' ' B' ' 136' ' ' MET . 16.2 tp60 83.83 117.59 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.691 -0.63 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.482 ' O ' ' OD2' ' B' ' 131' ' ' ASP . 91.2 m-20 -59.85 -38.58 82.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.618 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -118.37 138.87 52.13 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.201 -0.937 . . . . 0.0 110.492 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.1 mtp -64.59 -40.29 95.25 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.92 0.866 . . . . 0.0 109.736 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.19 -33.64 69.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.216 -0.927 . . . . 0.0 108.959 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.59 -36.43 76.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.162 -0.961 . . . . 0.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.24 -33.24 67.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.58 -30.06 47.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 119.139 -1.025 . . . . 0.0 108.338 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.36 -38.13 73.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -59.37 -35.86 74.69 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.34 84.02 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.93 -38.8 70.77 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.896 -1.355 . . . . 0.0 107.869 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.555 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 79.8 tt0 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.963 HD11 HD12 ' A' ' 105' ' ' LEU . 46.1 tp -55.55 -42.34 74.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 0.0 108.764 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -60.65 -40.62 92.68 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.3 tm-20 -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.646 -0.659 . . . . 0.0 109.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.67 -50.44 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.276 -0.89 . . . . 0.0 110.45 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.814 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.77 -33.09 74.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 109.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.61 95.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.379 -0.826 . . . . 0.0 109.513 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 89.0 mtp -64.33 -40.06 95.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.005 . . . . 0.0 109.47 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.12 -39.12 88.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.861 . . . . 0.0 109.336 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.6 m-20 171.67 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.496 -0.752 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.15 -35.83 72.1 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.014 -1.054 . . . . 0.0 108.772 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.3 m -85.59 4.86 34.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.72 97.98 0.06 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -120.56 153.01 37.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.587 -0.949 . . . . 0.0 109.13 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.658 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -55.63 -34.01 64.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.246 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.35 -33.7 71.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -75.53 -24.15 56.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.525 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.5 mt -102.23 132.88 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 108.621 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 77.1 p -59.54 68.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.457 -0.777 . . . . 0.0 110.476 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.8 t0 -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.83 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.26 75.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.973 -1.079 . . . . 0.0 111.745 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.64 67.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.667 -1.271 . . . . 0.0 109.699 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.9 mt -62.7 -38.35 90.07 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.756 -0.59 . . . . 0.0 110.363 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.1 m-20 -61.49 -43.13 99.41 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.25 -0.906 . . . . 0.0 110.509 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.103 -0.998 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.518 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.62 -36.97 85.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.228 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 158' ' ' LEU . 19.8 tp -67.39 -35.46 79.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 110.597 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.9 m-20 -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.976 -1.077 . . . . 0.0 108.918 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.48 -43.07 67.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.001 -1.062 . . . . 0.0 108.186 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -63.91 -37.79 88.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.544 -0.722 . . . . 0.0 109.612 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.24 -39.78 73.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.038 -1.039 . . . . 0.0 108.686 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.17 -41.9 97.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.409 ' OD2' ' CE ' ' A' ' 118' ' ' LYS . 81.0 m-20 -93.36 -32.95 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.106 -0.996 . . . . 0.0 110.633 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.34 170.94 15.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.145 -0.972 . . . . 0.0 109.448 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.1 m -109.28 123.75 49.78 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.435 -0.791 . . . . 0.0 109.377 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.464 HD12 ' N ' ' B' ' 185' ' ' LEU . 5.7 mp -91.51 141.64 26.12 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 C--N 1.311 -1.403 0 C-N-CA 122.244 1.963 . . . . 0.0 112.251 -179.783 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.79 78.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.386 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -60.5 -36.84 79.31 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.85 93.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 109.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -59.64 -43.01 94.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.324 -0.86 . . . . 0.0 109.246 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 53.9 t -61.3 -43.32 96.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.37 -46.06 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 0.0 109.582 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.14 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.336 -0.852 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.2 m -62.03 -38.64 89.44 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.0 109.465 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.03 91.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.2 -0.937 . . . . 0.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -31.15 70.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.181 -0.949 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.98 -42.97 99.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.228 -0.92 . . . . 0.0 109.363 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 23' ' ' ILE . 81.3 m-85 -64.42 -37.42 87.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.388 -0.82 . . . . 0.0 109.727 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.85 -42.14 97.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.059 -1.026 . . . . 0.0 108.725 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -60.83 -30.99 70.43 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.55 -12.08 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.527 -0.733 . . . . 0.0 109.824 -179.539 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.41 5.06 63.76 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.457 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.7 mt -95.98 69.69 2.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.98 -1.306 . . . . 0.0 109.39 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.46 -33.73 87.25 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.742 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.8 mt -57.63 -43.21 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.025 -1.28 . . . . 0.0 109.985 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' CE1' ' A' ' 15' ' ' PHE . 35.3 mm -66.42 -47.75 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.941 -1.099 . . . . 0.0 108.727 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.91 -32.68 80.66 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.688 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.9 t80 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -1.105 . . . . 0.0 109.955 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 41.6 m-85 -67.31 -36.56 81.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 110.271 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.8 -41.6 99.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.04 . . . . 0.0 109.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.2 -39.99 94.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 108.919 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.17 -40.88 94.91 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.425 -0.797 . . . . 0.0 109.231 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.72 ' CE1' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -65.08 -42.34 94.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -63.79 -36.14 82.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.062 -1.024 . . . . 0.0 109.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.7 -46.34 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 110.277 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.1 -31.89 73.14 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.293 -0.88 . . . . 0.0 110.089 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -60.88 -45.57 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.975 . . . . 0.0 109.548 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.39 -46.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.319 -0.863 . . . . 0.0 109.375 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.59 -36.43 83.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.2 p -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -88.2 122.59 31.93 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.451 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.09 -37.46 85.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.887 . . . . 0.0 109.677 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -86.45 125.89 34.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.0 109.986 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -134.56 142.74 47.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.826 . . . . 0.0 109.589 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.468 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.15 159.83 19.64 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -52.95 -34.68 56.79 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.85 -1.156 . . . . 0.0 108.425 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.29 -44.97 67.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.349 -0.844 . . . . 0.0 109.806 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.468 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.5 mtp -69.55 -40.85 76.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.998 -1.063 . . . . 0.0 109.95 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 m -62.47 -43.51 98.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.589 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.24 81.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.326 -0.859 . . . . 0.0 109.773 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.59 -41.12 98.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.319 -0.863 . . . . 0.0 109.652 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.65 87.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.5 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.4 -45.87 92.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 110.419 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.45 -37.93 76.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.673 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.28 -37.22 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.23 -0.919 . . . . 0.0 110.012 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.6 mt -58.66 -39.37 80.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.27 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.325 -0.859 . . . . 0.0 109.358 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.6 m -64.19 -42.84 96.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.367 -0.833 . . . . 0.0 109.928 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.44 -51.35 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 109.488 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.71 -37.86 85.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.76 87.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.0 109.216 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.2 t80 -68.61 -48.88 62.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.439 -0.788 . . . . 0.0 109.718 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.5 tttt -63.32 -39.18 93.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.92 -34.03 76.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.576 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.21 -31.53 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.253 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 63' ' ' ILE . 75.4 mt -123.82 10.39 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.573 -0.705 . . . . 0.0 109.833 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.56 -37.73 61.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.13 65.6 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.41 -38.57 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.064 -1.257 . . . . 0.0 109.06 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.39 -29.36 1.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.02 81.87 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.422 -0.799 . . . . 0.0 109.383 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.02 -43.36 86.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.554 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.64 -39.41 93.65 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.7 t -160.88 97.66 1.17 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.3 p30 -96.26 7.07 47.38 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.232 -0.918 . . . . 0.0 109.598 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.94 -75.73 0.52 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -67.14 -39.48 86.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 111.365 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.405 HD11 HG23 ' A' ' 63' ' ' ILE . 34.3 tp -69.76 -35.44 74.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.508 -1.37 . . . . 0.0 109.881 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.592 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -60.18 -45.26 93.74 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.096 -1.002 . . . . 0.0 109.596 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.1 -42.14 95.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 108.274 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.742 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.8 ttt -58.83 -36.47 74.58 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.49 -32.71 71.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.677 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -56.84 -37.66 71.57 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.1 mt -60.33 -41.22 93.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.555 -0.716 . . . . 0.0 109.647 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.509 HG23 ' CE2' ' A' ' 25' ' ' TYR . 86.8 mt -85.34 -45.34 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.272 -0.893 . . . . 0.0 111.412 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -73.55 -46.98 44.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 0.0 111.164 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -81.37 100.52 9.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.937 -1.102 . . . . 0.0 109.444 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -37.25 86.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.416 -0.803 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -47.11 84.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.253 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 60.9 tttm -64.96 -41.91 95.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 109.384 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.87 -37.84 88.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 108.918 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -45.58 69.69 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.446 -0.784 . . . . 0.0 109.659 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.87 -47.25 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.151 -0.968 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -63.86 -43.57 95.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.151 -0.968 . . . . 0.0 109.279 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.79 -42.7 99.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 108.635 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.41 -41.47 96.61 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' O ' ' OG ' ' A' ' 99' ' ' SER . 48.0 m-20 -62.74 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 0.0 109.415 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -65.56 -49.58 68.32 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.631 -0.828 . . . . 0.0 108.955 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.8 m -63.12 -45.13 93.43 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.37 -0.831 . . . . 0.0 109.175 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.9 mmm -63.5 -40.07 96.09 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.323 -0.861 . . . . 0.0 109.477 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 24.7 m -63.0 -46.09 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 109.263 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.81 -45.8 84.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.272 -0.893 . . . . 0.0 108.878 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.807 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 34.5 t80 -62.0 -39.99 94.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.615 -0.678 . . . . 0.0 109.793 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -38.06 79.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.463 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.13 -39.51 93.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.695 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.1 mmtt -63.48 -45.72 89.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.807 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 48.5 mt -67.75 -36.64 80.9 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.558 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.4 tttt -60.79 -46.37 90.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.0 mt-30 -64.56 -36.97 85.93 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -59.43 -32.18 69.97 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 18.3 tttt -58.84 -39.86 82.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.765 -0.584 . . . . 0.0 109.976 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.9 m-20 -169.24 -22.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.22 -0.925 . . . . 0.0 110.508 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.77 157.7 3.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.29 140.85 79.42 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.888 2.392 . . . . 0.0 112.664 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.2 m-90 -106.35 137.71 43.83 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.51 172.44 17.16 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.99 -1.069 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.46 -39.18 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.683 -0.636 . . . . 0.0 109.305 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.3 -42.61 77.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.993 -1.067 . . . . 0.0 108.769 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.554 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.5 tp -62.32 -37.19 84.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.242 -0.911 . . . . 0.0 108.883 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HG3' HD11 ' A' ' 158' ' ' LEU . 84.6 tttt -58.88 -47.7 84.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.466 -0.771 . . . . 0.0 109.976 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -67.61 -39.01 84.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 109.611 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 7.0 m -61.71 -39.23 90.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.835 . . . . 0.0 109.79 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.85 -41.98 98.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.112 -0.992 . . . . 0.0 109.347 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.852 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.0 m95 -62.08 -37.89 86.73 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 108.998 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -40.83 92.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.434 -0.791 . . . . 0.0 109.248 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.84 -40.07 94.03 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.446 -0.784 . . . . 0.0 109.65 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.599 HG23 HG23 ' A' ' 151' ' ' ILE . 95.4 mt -58.34 -42.52 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.26 -40.88 97.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.88 -40.83 94.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.297 -0.877 . . . . 0.0 110.433 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.747 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -64.22 -44.83 90.69 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.085 -1.009 . . . . 0.0 110.165 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.36 -36.31 81.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 0.0 109.955 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.528 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -66.09 -42.97 88.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.218 -0.926 . . . . 0.0 109.87 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.552 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.4 mt -59.4 -43.14 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 110.204 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 147' ' ' LEU . 94.0 mt -68.84 -45.26 71.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.114 -0.991 . . . . 0.0 110.261 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -66.27 -46.32 77.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 110.698 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 134' ' ' LEU . 95.4 mt -60.91 -31.5 71.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.282 -0.886 . . . . 0.0 111.635 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -137.29 55.47 1.81 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.813 -1.18 . . . . 0.0 111.269 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -62.22 -38.08 87.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.9 -1.125 . . . . 0.0 109.313 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.14 -28.89 67.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 111.451 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.89 0.78 57.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.731 -1.231 . . . . 0.0 110.515 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.415 HD13 HD23 ' A' ' 132' ' ' LEU . 77.8 mt -117.98 126.75 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.356 -0.84 . . . . 0.0 109.253 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -70.85 160.09 33.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.08 -38.65 91.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.1 m -65.39 -45.29 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -62.98 -39.24 94.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 0.0 109.339 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.761 HG23 HD22 ' A' ' 132' ' ' LEU . 47.2 m -61.3 -39.74 91.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.398 -0.814 . . . . 0.0 109.541 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.84 -39.43 77.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.715 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 m -61.94 -41.04 97.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.891 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -65.88 -40.84 91.96 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.421 -0.8 . . . . 0.0 109.658 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.65 -36.53 78.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.72 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.558 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 94.8 mtt-85 -61.23 -42.33 98.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 108.963 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 128' ' ' PHE . 85.2 mt -66.02 -43.04 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.426 -0.796 . . . . 0.0 108.881 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.6 mmtt -61.06 -40.53 93.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.569 -0.707 . . . . 0.0 109.664 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 33.3 t80 -57.73 -43.45 85.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 1.9 m -64.63 -42.4 95.5 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -58.89 -43.9 91.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.476 -0.765 . . . . 0.0 109.757 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 84.2 mt -69.48 -50.12 53.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.619 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.853 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -66.96 -36.33 81.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.16 -0.963 . . . . 0.0 110.614 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.852 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.7 tp -60.01 -37.05 78.6 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.5 m -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.547 -0.72 . . . . 0.0 109.914 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.5 -38.55 81.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.1 mt -59.92 -34.76 73.64 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.063 -1.023 . . . . 0.0 108.272 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.714 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.92 -30.94 71.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.527 -0.733 . . . . 0.0 109.564 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 53.5 mttm -81.54 -13.42 58.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.164 -0.96 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.25 12.4 80.77 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.58 -29.2 61.24 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.431 -1.041 . . . . 0.0 109.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.5 mm -102.59 129.88 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.962 . . . . 0.0 108.936 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.638 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.588 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.588 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.7 m120 -74.91 19.78 0.14 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -64.81 -39.55 86.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.498 ' N ' HG23 ' B' ' 130' ' ' ILE . 92.4 m-20 -72.98 -45.41 58.1 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.508 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' B' ' 138' ' ' ASP . 0.7 OUTLIER -68.4 -40.52 81.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 109.904 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.6 tt -59.03 -47.93 83.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.45 -0.781 . . . . 0.0 110.593 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.58 -37.43 79.85 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.677 -0.639 . . . . 0.0 110.404 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 52.8 p30 -163.15 161.04 24.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.926 -1.109 . . . . 0.0 109.939 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.82 -32.97 72.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 109.71 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.471 ' CD ' ' CD2' ' B' ' 143' ' ' LEU . 53.6 mt-30 -60.62 145.09 50.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.874 . . . . 0.0 109.587 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' B' ' 132' ' ' LYS . 86.6 m-20 -104.45 157.83 16.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 138' ' ' ASP . 96.1 mt-10 55.7 115.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.472 -0.768 . . . . 0.0 110.253 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.76 -36.44 78.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.414 -0.804 . . . . 0.0 109.319 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.584 HD13 HD12 ' B' ' 144' ' ' ILE . 4.0 mm? -57.01 -33.92 67.64 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.291 -0.881 . . . . 0.0 108.985 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.25 -38.32 79.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 0.0 108.908 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.471 ' CD2' ' CD ' ' B' ' 137' ' ' GLN . 65.2 mt -59.01 -34.08 71.46 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.262 -0.899 . . . . 0.0 108.582 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.584 HD12 HD13 ' B' ' 141' ' ' LEU . 51.7 mt -68.03 -31.01 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.87 -37.92 69.46 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.12 -36.37 75.07 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.27 80.8 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -55.88 -39.13 71.11 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.79 -1.418 . . . . 0.0 107.922 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.558 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.5 tt0 -61.7 -34.38 75.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.465 -0.772 . . . . 0.0 108.987 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.715 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.3 tt -55.06 -45.1 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 108.789 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.96 -39.78 93.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 109.306 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.542 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 1.8 tm-20 -61.65 -38.91 89.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.494 -0.754 . . . . 0.0 109.922 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 109' ' ' LYS . 34.6 t -64.03 -50.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.298 -0.876 . . . . 0.0 110.366 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.4 mm? -67.29 -33.81 76.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 155' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -63.07 -43.23 99.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.249 -0.907 . . . . 0.0 109.493 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 59.3 mtt -69.12 -38.46 78.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 109.682 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.67 -40.08 90.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.446 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.499 ' N ' ' OD1' ' B' ' 158' ' ' ASN . 2.0 p30 173.54 103.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.472 -0.767 . . . . 0.0 109.257 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 159' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 86.8 m-20 -58.35 -35.77 72.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.22 -0.925 . . . . 0.0 109.11 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.9 p -83.06 2.82 33.2 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.96 0.06 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -122.46 152.63 40.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.519 -0.989 . . . . 0.0 109.205 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.24 -34.41 66.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.444 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.47 -33.78 71.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.442 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -75.59 -23.41 56.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 0.0 109.603 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.3 mt -102.39 131.97 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.751 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.6 m -58.93 70.47 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.425 -0.797 . . . . 0.0 110.407 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.2 t0 -63.13 -36.73 84.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.148 -0.97 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.18 76.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.849 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -42.76 67.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.729 -1.232 . . . . 0.0 109.723 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.473 HD21 ' HE3' ' A' ' 163' ' ' LYS . 96.0 mt -62.79 -38.37 90.4 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.64 -0.663 . . . . 0.0 110.344 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.5 m-20 -61.38 -43.01 99.61 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.0 110.544 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.89 80.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.019 -1.05 . . . . 0.0 109.891 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.42 -36.59 84.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 158' ' ' LEU . 19.4 tp -67.34 -35.1 78.7 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.637 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.916 -1.115 . . . . 0.0 108.983 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.04 71.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.948 -1.095 . . . . 0.0 108.171 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 162' ' ' ALA . 18.0 tp -64.5 -36.46 84.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.598 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.449 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.86 -40.14 69.38 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.924 -1.11 . . . . 0.0 108.729 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 180' ' ' GLN . . . . . 0.529 ' HG3' HD22 ' B' ' 185' ' ' LEU . 2.6 mp0 -65.19 -28.11 69.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.414 -0.803 . . . . 0.0 109.283 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.19 -53.5 56.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 110.532 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -76.84 -40.15 48.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.22 173.84 6.24 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.476 -0.765 . . . . 0.0 109.083 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.497 ' C ' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -108.3 128.93 55.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.369 -0.832 . . . . 0.0 109.483 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.791 ' N ' HD23 ' B' ' 185' ' ' LEU . 0.1 OUTLIER -90.54 145.15 31.79 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.171 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo . . . . . 0 C--N 1.304 -1.788 0 C-N-CA 122.581 2.187 . . . . 0.0 112.255 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.83 82.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.474 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.78 -38.41 85.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.0 t-20 -60.55 -36.76 79.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.353 -0.842 . . . . 0.0 109.354 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.624 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -60.76 -39.35 88.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.0 109.608 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.1 83.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.93 . . . . 0.0 110.061 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 122' ' ' TRP . 41.5 ttt180 -59.92 -39.66 86.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.141 -0.974 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 4' ' ' ASN . 94.9 t -60.31 -39.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.95 -45.51 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -41.79 82.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 108.867 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -61.25 -38.73 87.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.417 -0.802 . . . . 0.0 108.983 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.9 83.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 108.693 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -60.88 -32.03 71.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.431 -0.793 . . . . 0.0 109.132 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -60.71 -40.61 92.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.39 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 23' ' ' ILE . 70.0 m-85 -63.73 -39.02 93.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.436 -0.79 . . . . 0.0 109.899 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.12 -40.59 94.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.007 -1.058 . . . . 0.0 108.994 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.0 -30.81 70.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.433 -0.792 . . . . 0.0 109.384 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.58 -7.52 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.381 -0.825 . . . . 0.0 109.86 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.62 5.3 63.23 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.499 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 20' ' ' LEU . 70.5 mt -99.56 65.3 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.019 -1.283 . . . . 0.0 109.449 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -31.07 77.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' CE ' ' A' ' 79' ' ' MET . 69.5 mt -57.24 -43.05 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.018 -1.283 . . . . 0.0 109.641 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.616 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.53 -47.11 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.643 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -33.49 83.68 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.9 t80 -59.16 -48.86 80.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -1.051 . . . . 0.0 109.797 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.452 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.0 m-85 -67.3 -35.85 80.3 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.245 -0.909 . . . . 0.0 109.953 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.8 mt -65.09 -41.74 94.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.049 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.45 -39.86 92.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.922 -1.111 . . . . 0.0 108.812 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 29' ' ' LEU . 44.3 tp -64.21 -38.61 91.66 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.775 ' CE1' HD11 ' A' ' 34' ' ' LEU . 55.6 t80 -63.71 -44.12 94.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.668 -0.645 . . . . 0.0 110.13 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.69 88.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.2 t -61.51 -48.57 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.058 -1.026 . . . . 0.0 110.311 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.09 -32.42 73.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.611 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.775 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.56 -46.2 90.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.21 -45.93 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.661 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.0 mt -63.29 -36.75 84.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.365 -0.835 . . . . 0.0 109.699 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -67.92 -14.52 63.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -89.72 124.23 34.43 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.503 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -35.06 78.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.92 . . . . 0.0 109.937 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -82.87 125.72 31.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.009 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -139.65 141.12 37.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.286 -0.884 . . . . 0.0 109.655 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.33 162.6 16.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -53.59 -35.21 60.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.882 -1.136 . . . . 0.0 108.618 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.24 -45.23 66.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 110.004 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -69.41 -40.7 77.15 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.006 -1.059 . . . . 0.0 109.887 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.5 m -62.38 -43.1 99.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.38 74.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.36 -40.55 96.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.761 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.96 88.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 109.569 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -60.8 -45.76 93.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 110.488 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.27 -38.11 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 109.783 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 52' ' ' LEU . 95.7 mt -64.59 -37.01 86.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.41 -38.74 78.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.927 -1.108 . . . . 0.0 109.332 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.224 -0.922 . . . . 0.0 109.303 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.2 m -65.9 -46.79 77.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 109.711 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mt -59.45 -48.38 87.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.64 -38.75 92.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.038 -1.039 . . . . 0.0 109.112 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.12 -41.57 77.19 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.297 -0.877 . . . . 0.0 108.931 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.9 t80 -65.53 -48.78 71.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.426 -0.796 . . . . 0.0 109.729 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 64' ' ' GLY . 63.3 tttt -65.39 -42.33 92.76 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.291 -0.881 . . . . 0.0 109.132 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -63.17 -33.67 75.97 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -58.45 -31.06 67.42 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 63' ' ' ILE . 68.8 mt -122.71 8.95 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.601 -0.687 . . . . 0.0 109.705 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.4 -38.18 61.87 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.51 4.37 62.34 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.225 -1.162 . . . . 0.0 110.431 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.69 -37.48 81.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.912 -1.346 . . . . 0.0 108.978 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -29.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.65 -29.99 71.04 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.16 81.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.437 -0.79 . . . . 0.0 109.259 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.76 -42.79 84.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -64.23 -39.37 93.83 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -161.57 97.49 1.09 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -95.64 4.7 52.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -94.7 -75.32 0.52 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.193 -0.942 . . . . 0.0 110.206 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.1 p -67.01 -38.15 85.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.791 . . . . 0.0 111.405 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 63' ' ' ILE . 30.3 tp -68.54 -35.39 77.36 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.606 -1.309 . . . . 0.0 109.89 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.7 m170 -59.79 -45.11 93.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.993 . . . . 0.0 109.443 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.01 -42.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.638 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.2 ttt -58.74 -36.42 74.3 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.36 -32.71 71.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.594 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -56.79 -37.23 70.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.7 mt -60.14 -40.7 90.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 0.0 109.565 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.5 mt -86.22 -45.56 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 111.004 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -72.71 -47.97 42.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 111.129 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.62 101.07 9.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.876 -1.14 . . . . 0.0 109.612 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.53 -35.75 81.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.402 -0.811 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.91 -47.93 82.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 0.0 110.532 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.631 ' HZ3' HD13 ' B' ' 130' ' ' ILE . 66.7 tttt -67.53 -42.44 82.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.11 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.14 -37.62 87.96 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -46.14 69.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.491 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.624 HG22 ' ND2' ' A' ' 95' ' ' ASN . 74.3 mt -63.0 -43.11 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.886 . . . . 0.0 109.428 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 50.9 t80 -62.88 -44.93 94.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.26 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 tpt -64.26 -44.61 91.23 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.226 -0.921 . . . . 0.0 108.673 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.47 -43.58 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.624 ' ND2' HG22 ' A' ' 91' ' ' ILE . 43.5 m-20 -61.6 -41.79 97.94 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.378 -0.826 . . . . 0.0 109.0 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.49 -49.24 67.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 108.9 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 131' ' ' ILE . 39.8 m -61.73 -43.71 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.461 -0.775 . . . . 0.0 109.025 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.2 -37.81 86.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.398 -0.814 . . . . 0.0 109.55 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.1 p -64.66 -44.11 91.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -0.916 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 40.5 tp -67.68 -42.22 82.45 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HD11 ' B' ' 150' ' ' LEU . 41.1 t80 -62.21 -43.31 99.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.41 HD21 ' HB3' ' B' ' 149' ' ' GLU . 56.1 t-20 -63.16 -40.5 97.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 109.709 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.68 -41.09 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.782 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.489 ' HZ2' HD12 ' A' ' 117' ' ' LEU . 12.3 mmtt -63.8 -45.45 89.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.0 109.951 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.53 HD12 HD21 ' B' ' 150' ' ' LEU . 35.6 mt -67.16 -35.77 80.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.222 -0.924 . . . . 0.0 108.736 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.57 -45.14 92.73 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.4 mt-30 -63.89 -36.63 84.58 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.844 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.3 tp -60.15 -33.19 71.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 49.7 tttt -59.13 -38.94 80.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.628 -0.67 . . . . 0.0 110.32 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -167.57 -22.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.68 155.85 3.85 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.29 141.72 88.68 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.816 2.344 . . . . 0.0 112.377 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.4 m-90 -105.85 136.05 46.18 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -153.04 173.47 15.4 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.952 -1.092 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.36 -39.68 53.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.7 ttm -57.22 -42.58 81.63 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.999 -1.063 . . . . 0.0 108.774 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 45.6 tp -62.37 -37.14 84.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.332 -0.855 . . . . 0.0 109.069 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.4 tttt -57.35 -47.03 82.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.498 -0.751 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -66.73 -39.64 88.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.574 -0.703 . . . . 0.0 109.77 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -58.49 -40.28 82.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 110.356 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.34 -41.86 98.9 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.985 -1.072 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.87 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.7 m95 -62.9 -38.19 89.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.323 -0.861 . . . . 0.0 109.027 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -41.31 93.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.491 -0.756 . . . . 0.0 109.617 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.479 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 80.5 m -62.53 -40.36 96.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 151' ' ' ILE . 96.7 mt -58.69 -42.42 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.932 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.54 -41.06 93.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.97 . . . . 0.0 109.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.87 -40.57 97.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.89 . . . . 0.0 110.166 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.1 m-85 -64.46 -43.87 92.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.183 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.4 m -62.22 -36.64 82.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.155 -0.965 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.572 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.12 -40.54 90.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 0.0 109.836 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.489 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.7 mt -59.38 -43.06 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.141 -0.974 . . . . 0.0 110.388 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 147' ' ' LEU . 86.1 mt -67.57 -45.27 76.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.952 -1.092 . . . . 0.0 110.201 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.586 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.2 t60 -67.3 -42.81 83.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.926 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.572 HD12 ' SG ' ' A' ' 130' ' ' CYS . 86.6 mt -62.77 -32.2 73.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.285 -0.884 . . . . 0.0 112.021 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -142.32 60.14 1.45 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.635 -178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.84 -38.17 89.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.115 . . . . 0.0 109.083 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -27.67 66.88 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.57 -0.706 . . . . 0.0 111.299 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.55 0.72 57.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.815 -1.178 . . . . 0.0 110.267 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.5 mt -117.79 130.12 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.028 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -70.43 159.87 33.4 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.193 -0.942 . . . . 0.0 109.264 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.2 -38.54 91.41 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.229 -0.919 . . . . 0.0 109.394 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.3 m -66.04 -43.73 86.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.405 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.0 t -62.12 -39.05 91.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.623 HG23 HD22 ' A' ' 132' ' ' LEU . 56.0 m -60.58 -41.23 94.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.526 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.0 m -61.79 -40.54 95.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.256 -0.902 . . . . 0.0 109.536 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.79 HD12 HD21 ' A' ' 132' ' ' LEU . 87.5 mt -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.356 -0.84 . . . . 0.0 109.639 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.83 -36.7 79.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.476 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 16.3 tttp -61.98 -42.13 98.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.942 . . . . 0.0 109.036 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -62.41 -42.21 99.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.219 -0.925 . . . . 0.0 109.034 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.5 mt -65.25 -41.98 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.6 mmtt -60.87 -37.85 83.56 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.745 -0.597 . . . . 0.0 109.922 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.76 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -58.07 -43.69 87.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 109.137 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.97 -41.09 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.924 . . . . 0.0 108.829 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -58.96 -43.97 91.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.71 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.51 -50.04 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 110.614 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -66.57 -36.46 82.69 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.21 -0.931 . . . . 0.0 110.572 -179.332 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.87 HD21 ' NE1' ' A' ' 122' ' ' TRP . 36.0 tp -60.02 -37.61 80.28 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 108.407 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 80.1 p -67.21 -37.52 83.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.408 -0.807 . . . . 0.0 109.739 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.03 -38.75 87.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.915 . . . . 0.0 109.266 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.06 -34.99 74.17 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.748 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.26 -30.99 72.03 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.495 -0.753 . . . . 0.0 109.384 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' B' ' 171' ' ' LEU . 50.5 mttm -81.73 -13.33 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.177 -0.952 . . . . 0.0 109.195 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.8 80.64 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -74.78 -29.26 61.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.582 -0.952 . . . . 0.0 109.976 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.8 mm -102.65 130.6 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.155 -0.966 . . . . 0.0 109.009 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.551 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.641 HG22 ' OD1' ' B' ' 129' ' ' ASN . 79.1 mt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.641 ' OD1' HG22 ' B' ' 128' ' ' ILE . 24.2 m-20 -75.54 19.41 0.19 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.631 HD13 ' HZ3' ' A' ' 88' ' ' LYS . 20.3 tt -65.94 -41.03 89.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.5 m-20 -67.97 -41.21 82.73 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.304 -0.959 . . . . 0.0 109.095 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -70.05 -46.11 65.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.04 -43.93 94.05 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.429 ' CG ' ' CE1' ' A' ' 92' ' ' TYR . 2.1 tp60 -65.5 -42.04 92.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.705 -0.622 . . . . 0.0 109.949 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.496 ' O ' ' O ' ' B' ' 131' ' ' ASP . 48.5 t0 -168.56 166.02 12.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 109.847 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.455 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.9 mtt -61.4 -31.61 71.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.88 . . . . 0.0 110.145 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.473 ' OE1' ' OD2' ' B' ' 142' ' ' ASP . 99.4 mm-40 -60.54 126.11 26.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.053 -1.03 . . . . 0.0 110.089 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' OD2' ' B' ' 131' ' ' ASP . 59.9 t0 -67.54 -37.48 82.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.624 -0.673 . . . . 0.0 110.662 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' B' ' 141' ' ' LEU . 84.3 tt0 -112.53 135.93 52.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.241 -0.912 . . . . 0.0 110.488 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 90.7 mtp -63.18 -37.95 89.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.445 -0.784 . . . . 0.0 109.296 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.672 HD13 HD12 ' B' ' 144' ' ' ILE . 3.9 mm? -58.94 -33.02 70.11 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 142' ' ' ASP . . . . . 0.473 ' OD2' ' OE1' ' B' ' 137' ' ' GLN . 54.9 t0 -58.24 -37.06 74.14 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.744 ' O ' HD13 ' B' ' 143' ' ' LEU . 1.1 tm? -61.24 -37.52 83.36 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.672 HD12 HD13 ' B' ' 141' ' ' LEU . 55.3 mt -68.77 -29.77 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.978 . . . . 0.0 108.952 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.29 -36.8 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.54 -36.28 75.84 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.64 83.24 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.06 -37.54 71.96 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.897 -1.355 . . . . 0.0 107.801 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.41 ' HB3' HD21 ' A' ' 102' ' ' ASN . 82.9 tt0 -58.44 -34.69 71.11 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.692 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.2 tt -55.44 -45.17 76.85 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -39.7 84.79 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.465 -0.772 . . . . 0.0 109.328 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.541 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.84 -38.74 89.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.783 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 23.1 t -65.26 -50.78 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 0.0 110.364 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.3 mm? -66.53 -33.04 74.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.198 -0.939 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.11 98.3 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.33 -0.857 . . . . 0.0 109.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 43.8 mtt -66.55 -38.81 87.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.038 -1.039 . . . . 0.0 109.531 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 20.2 t-20 -60.8 -39.3 88.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.24 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.0 m-20 170.41 104.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.534 -0.729 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.34 -35.75 72.38 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.021 -1.05 . . . . 0.0 108.715 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.6 m -84.9 4.46 33.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.66 98.2 0.07 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -118.24 152.2 36.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.537 -0.978 . . . . 0.0 109.237 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.615 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.26 -33.12 62.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 0.0 109.165 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.03 -33.0 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.27 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -75.44 -24.73 57.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.5 mt -103.13 131.51 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.618 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 21.8 t -58.09 72.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.451 -0.78 . . . . 0.0 110.504 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.8 t0 -64.36 -36.87 85.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.52 -49.14 74.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.034 -1.041 . . . . 0.0 111.862 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -42.88 67.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.71 -1.244 . . . . 0.0 109.723 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.505 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.3 mt -62.63 -38.7 91.25 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.638 -0.664 . . . . 0.0 110.491 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.4 m-20 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.132 -0.98 . . . . 0.0 110.153 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.65 82.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 109.793 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.49 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.4 mt-10 -66.42 -37.62 85.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.249 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 158' ' ' LEU . 19.5 tp -67.18 -35.82 80.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.045 -1.035 . . . . 0.0 110.513 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.7 m-20 -62.07 -38.81 90.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.962 -1.086 . . . . 0.0 108.875 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.97 66.83 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 162' ' ' ALA . 16.9 tp -65.55 -38.57 89.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.554 -0.716 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.552 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.93 -41.28 77.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.034 -1.041 . . . . 0.0 109.389 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.28 -36.62 80.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.42 -44.95 81.53 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 28.5 m-20 -76.26 -36.17 58.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.9 . . . . 0.0 110.364 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -78.34 172.35 13.74 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.434 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.41 118.51 36.83 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.402 -0.811 . . . . 0.0 108.958 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 185' ' ' LEU . 6.7 mp -91.42 140.46 25.49 Favored Pre-proline 0 C--N 1.299 -1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.136 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.492 1.396 0 C-N-CA 122.2 1.933 . . . . 0.0 112.178 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.45 77.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.89 . . . . 0.0 109.454 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.28 -35.12 74.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 8' ' ' VAL . 48.9 t-20 -60.08 -38.07 81.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.159 -0.963 . . . . 0.0 109.387 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.59 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.28 -39.61 93.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.356 -0.84 . . . . 0.0 109.373 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.78 96.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.966 . . . . 0.0 109.74 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 122' ' ' TRP . 50.6 ttt180 -59.71 -42.38 92.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.573 HG11 ' HD2' ' A' ' 30' ' ' TYR . 93.6 t -61.1 -39.98 84.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.02 -47.65 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 0.0 109.186 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.06 81.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.5 m -61.79 -38.66 88.9 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.019 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.37 -32.68 72.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.434 -0.791 . . . . 0.0 109.53 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.9 -41.78 96.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 109.626 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.13 -39.22 93.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.266 -0.896 . . . . 0.0 109.987 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.18 -39.34 89.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.921 -1.112 . . . . 0.0 109.083 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.78 -33.19 73.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.375 -0.828 . . . . 0.0 110.068 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.05 0.1 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.072 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.55 63.47 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -98.63 45.51 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.971 -1.311 . . . . 0.0 109.095 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.16 -34.24 52.85 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.719 HD11 ' CE ' ' A' ' 79' ' ' MET . 71.0 mt -57.59 -42.87 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.294 . . . . 0.0 109.173 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.29 -48.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.064 -1.023 . . . . 0.0 108.432 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.72 80.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.9 t80 -58.72 -47.69 83.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.334 -1.098 . . . . 0.0 109.637 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.3 m-85 -67.12 -34.93 78.66 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.226 -0.921 . . . . 0.0 109.622 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.66 -41.0 96.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 0.0 109.964 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.483 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -60.51 -39.75 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.001 -1.062 . . . . 0.0 108.793 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.84 -38.8 92.44 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.768 ' CE1' HD11 ' A' ' 34' ' ' LEU . 46.0 t80 -64.68 -43.07 94.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.672 -0.642 . . . . 0.0 110.292 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.16 86.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 110.164 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.89 -47.32 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.059 -1.026 . . . . 0.0 110.343 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.33 -32.37 73.95 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.931 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.14 -46.3 91.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.975 . . . . 0.0 109.725 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.39 -46.02 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.276 -0.89 . . . . 0.0 109.366 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.99 -37.08 86.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.399 -0.813 . . . . 0.0 109.678 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.3 p -68.17 -14.09 62.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.85 123.01 32.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.31 -36.89 84.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -84.76 125.79 32.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.252 -0.905 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -138.32 143.17 39.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 49.1 m -114.14 158.99 20.56 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -52.93 -34.66 56.36 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.8 -1.187 . . . . 0.0 108.59 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.26 -42.33 72.29 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.27 -0.894 . . . . 0.0 109.899 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -70.21 -40.56 74.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.979 -1.075 . . . . 0.0 109.772 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -61.56 -42.48 98.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.12 76.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -0.84 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.29 -40.55 96.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.14 -0.975 . . . . 0.0 109.668 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.92 89.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.47 -45.66 92.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.444 -0.785 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.58 -38.29 74.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -64.02 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.76 -39.5 81.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.061 -1.024 . . . . 0.0 109.235 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.36 -43.58 98.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 HE22 ' A' ' 28' ' ' GLN . 57.0 m -66.94 -46.31 75.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.791 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.4 mt -61.31 -48.56 88.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.577 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.39 -37.98 89.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.107 -0.995 . . . . 0.0 108.95 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.69 76.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.2 t80 -65.24 -48.73 72.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.443 -0.786 . . . . 0.0 109.458 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.8 tttt -64.81 -41.19 95.98 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.295 -0.878 . . . . 0.0 109.042 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -63.08 -33.75 76.11 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.33 66.39 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 63' ' ' ILE . 64.2 mt -123.96 5.61 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.436 -0.79 . . . . 0.0 110.008 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.89 -37.35 21.77 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.09 4.42 63.04 Favored Glycine 0 N--CA 1.49 2.249 0 O-C-N 121.153 -1.204 . . . . 0.0 110.446 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -35.98 80.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.722 -1.458 . . . . 0.0 108.733 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -141.48 -29.67 0.62 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.56 -30.99 71.72 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.56 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.13 -42.12 99.44 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.383 -0.823 . . . . 0.0 109.218 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.97 -39.08 11.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.165 -0.959 . . . . 0.0 108.72 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.12 -39.31 89.52 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.174 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 3.5 t -133.43 -61.67 0.81 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.451 -0.78 . . . . 0.0 109.647 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ALA . 61.0 t0 61.95 -13.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.671 -0.643 . . . . 0.0 109.959 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 87.6 mttt -94.48 -79.69 0.42 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.965 -1.084 . . . . 0.0 109.001 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.5 p -68.29 -35.56 78.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 110.29 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 63' ' ' ILE . 41.6 tp -67.92 -37.4 81.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.663 -1.273 . . . . 0.0 109.769 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.35 -44.74 95.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.0 109.346 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.88 -43.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.29 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.719 ' CE ' HD11 ' A' ' 22' ' ' ILE . 10.9 ttt -58.81 -38.54 78.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.689 ' ND2' ' NE2' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -60.75 -32.27 71.58 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.668 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 85' ' ' ASP . 15.6 m -57.37 -36.92 71.84 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.619 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -59.44 -40.82 88.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.444 HG23 ' CE2' ' A' ' 25' ' ' TYR . 95.9 mt -80.27 -44.59 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.689 ' NE2' ' ND2' ' A' ' 80' ' ' ASN . 85.9 m-70 -70.05 -51.36 32.69 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.213 -0.929 . . . . 0.0 111.314 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' CG2' ' A' ' 81' ' ' THR . 83.7 m-20 -77.85 100.24 6.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.968 -1.083 . . . . 0.0 110.348 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.15 -37.26 86.83 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.513 -0.742 . . . . 0.0 109.533 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.11 -47.29 77.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.128 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 76.0 tttt -65.03 -41.27 95.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.013 -1.054 . . . . 0.0 108.952 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.51 -37.58 87.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -46.44 67.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.474 -0.766 . . . . 0.0 109.652 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.435 HG22 ' ND2' ' A' ' 95' ' ' ASN . 86.5 mt -60.12 -47.14 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.201 -0.937 . . . . 0.0 109.497 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.568 ' CE2' ' NE2' ' B' ' 134' ' ' GLN . 56.2 t80 -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 109.269 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.2 tpt -62.68 -43.15 99.55 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.89 -44.28 90.14 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' B' ' 143' ' ' LEU . 87.5 m-20 -62.99 -41.51 99.59 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.428 -0.795 . . . . 0.0 108.93 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.47 -49.78 67.78 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.569 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.4 m -63.33 -43.86 96.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.411 -0.806 . . . . 0.0 109.098 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.4 mmm -62.77 -37.12 85.41 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.315 -0.865 . . . . 0.0 109.735 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.2 p -62.76 -45.27 93.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.237 -0.914 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 42.4 tp -67.45 -41.12 85.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 108.697 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.814 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 42.5 t80 -61.1 -41.71 97.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.283 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.78 -40.4 97.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.0 109.902 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.77 -40.22 94.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.729 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 11.7 mmtt -63.38 -45.52 90.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 60.4 mt -68.42 -35.27 77.4 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.317 -0.864 . . . . 0.0 108.713 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 28.7 tttp -59.8 -43.95 94.22 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.63 -36.8 83.95 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.2 tp -60.33 -32.01 70.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.635 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 16.2 tttt -58.83 -41.0 85.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.5 -0.75 . . . . 0.0 110.145 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 34.9 m-20 -170.85 -23.67 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.98 157.54 1.78 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 142.16 97.07 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.834 2.356 . . . . 0.0 112.566 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.44 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 5.9 m-90 -105.74 135.05 47.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.432 -0.792 . . . . 0.0 108.868 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -152.07 175.18 12.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.955 -1.091 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.32 -40.47 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -58.14 -38.73 77.11 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.907 -1.121 . . . . 0.0 108.598 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 117' ' ' LEU . 27.6 tp -61.55 -40.19 93.81 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 158' ' ' LEU . 83.5 tttt -62.42 -48.86 77.85 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.582 0.706 . . . . 0.0 109.47 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -69.02 -40.46 78.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.532 -0.73 . . . . 0.0 109.697 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 20.3 t -59.83 -40.01 87.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 0.0 109.711 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.277 -0.889 . . . . 0.0 109.422 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.857 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.5 m95 -61.17 -37.05 81.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.903 . . . . 0.0 109.253 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -42.88 92.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.486 -0.758 . . . . 0.0 109.86 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 31.0 m -62.19 -39.37 92.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.255 -0.903 . . . . 0.0 109.866 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 92.7 mt -58.1 -42.18 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.171 -0.956 . . . . 0.0 110.044 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.62 -40.92 96.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.13 -0.981 . . . . 0.0 109.804 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.33 -39.14 93.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 0.0 110.272 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.7 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.7 m-85 -64.58 -43.11 94.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.506 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -65.21 -31.93 73.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.046 . . . . 0.0 110.062 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.16 -41.21 77.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.131 -0.981 . . . . 0.0 109.801 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.569 HD11 ' OG1' ' A' ' 97' ' ' THR . 99.0 mt -59.38 -43.94 91.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 110.321 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.866 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -69.67 -45.48 68.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.934 -1.104 . . . . 0.0 110.147 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 7.2 t60 -66.99 -45.35 77.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.363 -0.836 . . . . 0.0 111.065 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 130' ' ' CYS . 92.3 mt -62.46 -30.62 71.38 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 111.456 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -138.41 56.48 1.72 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.791 -1.193 . . . . 0.0 111.287 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 132' ' ' LEU . 29.2 mtmm -62.27 -38.56 89.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.875 -1.141 . . . . 0.0 109.317 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -67.95 -28.54 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.496 -0.753 . . . . 0.0 111.436 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -91.93 0.23 57.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.681 -1.262 . . . . 0.0 110.6 -178.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.8 mt -117.84 126.72 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.286 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 160.09 33.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.2 -38.26 90.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.418 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 49.9 m -64.79 -45.37 86.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.418 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -63.35 -38.77 92.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.83 . . . . 0.0 109.39 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.716 HG23 HD22 ' A' ' 132' ' ' LEU . 45.5 m -61.63 -39.5 91.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.775 . . . . 0.0 109.449 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.72 -41.18 81.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.38 -0.825 . . . . 0.0 109.763 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.74 -40.82 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.939 . . . . 0.0 109.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.866 HD12 HD21 ' A' ' 132' ' ' LEU . 84.3 mt -65.83 -41.26 92.03 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.379 -0.825 . . . . 0.0 109.656 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.13 -36.9 80.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.364 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.15 -40.24 95.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 108.956 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -61.32 -42.14 98.17 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.286 -0.884 . . . . 0.0 109.05 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.9 mt -66.61 -43.07 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 108.813 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.1 mmtt -60.83 -40.1 91.52 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 109.894 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.73 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 32.5 t80 -57.78 -43.5 85.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 8.3 m -65.99 -42.17 90.12 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.47 -44.01 89.14 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.336 -0.853 . . . . 0.0 109.689 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.63 -50.42 50.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 110.479 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.857 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.8 -38.6 82.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.5 t -66.24 -42.66 88.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 109.4 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -61.23 -38.29 86.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.573 -0.704 . . . . 0.0 109.632 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.3 mt -63.72 -42.8 97.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.241 -0.912 . . . . 0.0 109.816 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.599 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.13 -24.48 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.855 . . . . 0.0 109.793 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -83.74 -3.67 58.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.761 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.61 12.04 84.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.01 -29.06 60.75 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.188 -1.184 . . . . 0.0 109.931 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.545 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.2 mm -107.27 134.21 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.169 -0.957 . . . . 0.0 109.273 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.563 ' C ' ' H ' ' B' ' 130' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.519 ' N ' HG22 ' B' ' 128' ' ' ILE . 77.7 m-20 -74.69 20.26 0.13 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 21.0 tt -65.39 -42.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.586 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -71.33 -42.4 68.62 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.364 -0.934 . . . . 0.0 108.816 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 135' ' ' ASP . 76.5 mttt -66.72 -44.94 80.26 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.693 0.759 . . . . 0.0 109.074 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.4 -46.31 83.84 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.741 0.782 . . . . 0.0 109.425 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.568 ' NE2' ' CE2' ' A' ' 92' ' ' TYR . 9.0 tp60 -65.1 -42.19 94.26 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.912 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' B' ' 134' ' ' GLN . 92.5 m-20 -140.38 157.65 45.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.251 -0.906 . . . . 0.0 109.711 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.94 -34.26 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -91.09 145.96 24.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' B' ' 138' ' ' ASP . 52.4 p30 -85.91 174.56 9.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.36 -0.838 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.469 ' OE1' ' OD2' ' B' ' 142' ' ' ASP . 84.8 tt0 57.32 102.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.554 -0.717 . . . . 0.0 110.302 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.435 ' HB3' HD22 ' A' ' 95' ' ' ASN . 68.7 mtm -62.07 -35.44 78.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.834 . . . . 0.0 109.77 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 141' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -55.98 -35.92 67.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.127 -0.983 . . . . 0.0 109.177 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 142' ' ' ASP . . . . . 0.469 ' OD2' ' OE1' ' B' ' 139' ' ' GLU . 90.4 m-20 -59.52 -36.49 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 0.0 108.339 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.784 ' O ' HD13 ' B' ' 143' ' ' LEU . 2.7 tm? -55.9 -35.45 66.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 141' ' ' LEU . 66.5 mt -67.52 -29.58 45.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.041 -1.037 . . . . 0.0 108.542 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.8 -38.75 70.37 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -59.25 -36.42 75.45 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.14 79.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -55.93 -39.18 71.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.035 -1.273 . . . . 0.0 107.879 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.3 tt0 -59.63 -34.16 72.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.698 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.6 tt -54.84 -45.2 74.46 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.02 -41.22 91.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.295 -0.878 . . . . 0.0 108.951 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -61.66 -37.64 84.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.709 -0.619 . . . . 0.0 109.695 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.466 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 40.5 t -65.06 -50.49 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 110.285 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.73 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.9 mm? -66.67 -33.47 75.72 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.109 -0.994 . . . . 0.0 109.281 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.34 94.36 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.371 -0.831 . . . . 0.0 109.41 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.635 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.3 mtp -65.79 -38.1 88.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 109.545 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.7 -39.17 87.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.97 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -58.41 -35.27 71.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.15 -0.969 . . . . 0.0 109.144 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.8 p -82.2 2.25 32.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.25 0.07 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -119.64 153.0 36.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.539 -0.977 . . . . 0.0 109.3 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.17 -34.21 65.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.37 -33.51 71.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -75.46 -22.4 57.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.585 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.4 mt -102.58 135.02 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.257 -0.902 . . . . 0.0 108.791 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.1 p -60.12 68.59 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.399 -0.813 . . . . 0.0 110.217 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.3 t0 -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 110.839 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.03 -48.89 76.8 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.971 -1.08 . . . . 0.0 111.287 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -43.05 67.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.901 -1.124 . . . . 0.0 109.784 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.9 -38.08 89.54 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.561 -0.712 . . . . 0.0 110.265 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.7 m-20 -60.57 -43.35 97.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.0 110.476 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.22 81.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 0.0 109.81 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -64.89 -36.72 85.28 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 110.144 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 21.1 tp -66.36 -35.79 81.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.959 -1.088 . . . . 0.0 110.613 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.8 m-20 -61.41 -37.6 84.07 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.501 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.05 73.69 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.599 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.2 mt -66.29 -35.43 80.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.842 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.94 -41.64 71.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.903 -1.123 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -61.86 -34.24 75.64 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.548 -0.72 . . . . 0.0 109.135 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.62 -40.85 96.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 110.785 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -93.63 -18.21 22.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.06 -1.025 . . . . 0.0 110.789 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -90.76 171.35 9.4 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.269 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.454 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.26 118.22 36.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -0.859 . . . . 0.0 109.313 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.645 HD12 ' N ' ' B' ' 185' ' ' LEU . 8.0 mp -91.81 142.51 26.66 Favored Pre-proline 0 C--N 1.3 -1.563 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.088 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.332 2.022 . . . . 0.0 112.21 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.59 78.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -60.37 -35.95 76.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.42 -36.81 79.05 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.76 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.21 -39.56 93.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.42 97.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.96 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -59.78 -44.91 93.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 0.0 109.102 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 ' CE2' ' A' ' 30' ' ' TYR . 83.7 t -61.39 -38.94 81.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.2 t -58.5 -45.25 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.175 -0.953 . . . . 0.0 109.102 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.95 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 108.839 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.8 m -62.65 -38.59 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.262 -0.899 . . . . 0.0 108.799 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -60.87 -31.81 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.436 -0.79 . . . . 0.0 109.184 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 0.0 109.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -63.99 -37.22 86.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.343 -0.848 . . . . 0.0 109.768 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.0 -42.23 98.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.092 -1.005 . . . . 0.0 108.676 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -60.98 -30.26 70.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.451 -0.781 . . . . 0.0 108.959 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.29 -12.12 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.88 64.17 Favored Glycine 0 N--CA 1.493 2.464 0 C-N-CA 119.903 -1.141 . . . . 0.0 110.498 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' H ' HG12 ' A' ' 18' ' ' VAL . 74.3 mt -94.38 62.11 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.953 -1.322 . . . . 0.0 109.397 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.32 71.24 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 HG21 HE22 ' B' ' 134' ' ' GLN . 4.3 mm -57.48 -43.81 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -1.212 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.91 -48.04 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.114 -0.992 . . . . 0.0 108.762 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.67 -32.3 78.19 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.036 -1.625 . . . . 0.0 109.036 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.642 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.1 t80 -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.425 -1.044 . . . . 0.0 109.707 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.9 m-85 -67.37 -35.93 80.32 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.975 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.22 -40.88 97.6 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.042 -1.036 . . . . 0.0 109.762 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.561 HE22 HG21 ' A' ' 55' ' ' THR . 95.9 mt-30 -61.78 -39.22 90.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.07 -38.11 89.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.65 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 29.8 t80 -61.95 -47.04 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 109.944 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.15 82.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -0.901 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.46 -47.99 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 110.869 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 95.5 mt-10 -64.63 -32.3 73.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.136 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 mp -62.27 -44.63 96.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.078 -1.014 . . . . 0.0 109.775 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 81.0 mt -62.98 -47.19 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.245 -0.909 . . . . 0.0 109.512 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.0 -38.16 87.77 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.335 -0.853 . . . . 0.0 109.677 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -78.09 1.62 20.56 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.475 -0.765 . . . . 0.0 109.305 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.14 126.05 36.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.56 -36.62 83.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 0.0 109.702 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -98.19 125.85 43.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -133.33 142.25 48.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.11 159.53 19.93 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -52.25 -36.65 53.08 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.935 -1.103 . . . . 0.0 108.555 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.04 -41.73 77.27 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.316 -0.865 . . . . 0.0 110.061 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.474 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.0 mtp -70.97 -41.97 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.995 -1.066 . . . . 0.0 109.849 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -63.07 -43.6 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 0.0 109.549 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.2 79.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.431 -0.793 . . . . 0.0 109.786 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.32 -40.2 95.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.914 . . . . 0.0 109.729 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.509 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -66.21 -41.38 90.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.508 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.38 -45.59 93.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.795 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -38.18 74.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.82 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.9 mt -64.47 -37.68 88.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.66 -38.77 78.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.191 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.44 -43.77 98.01 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.27 -0.894 . . . . 0.0 109.333 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -68.27 -48.04 66.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.94 . . . . 0.0 109.674 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.0 mt -59.77 -47.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.73 80.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.281 -0.887 . . . . 0.0 108.956 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.642 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.2 t80 -64.85 -48.7 73.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.821 . . . . 0.0 109.374 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.8 tttt -64.94 -39.93 94.25 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.411 -0.806 . . . . 0.0 109.183 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -63.04 -33.76 76.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.74 -31.06 67.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.701 HG22 ' O ' ' A' ' 63' ' ' ILE . 69.3 mt -124.26 9.6 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.826 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.06 -37.51 45.79 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.14 64.93 Favored Glycine 0 N--CA 1.489 2.169 0 O-C-N 121.221 -1.164 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.81 -38.14 77.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.901 -1.352 . . . . 0.0 108.893 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.2 -29.58 0.89 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.49 -31.36 72.49 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.26 -42.93 99.77 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.226 -0.921 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.91 -38.81 23.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.189 -0.944 . . . . 0.0 108.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.69 -39.58 91.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.335 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 4.4 t -130.16 -60.64 1.01 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.923 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 69' ' ' ALA . 60.3 t0 62.7 -13.59 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.608 -0.683 . . . . 0.0 109.801 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 29.4 mttt -95.67 -79.55 0.44 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.019 -1.05 . . . . 0.0 109.22 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -67.92 -36.39 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.345 -0.847 . . . . 0.0 110.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.55 HD11 HG23 ' A' ' 63' ' ' ILE . 34.4 tp -65.12 -35.47 81.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.66 -1.275 . . . . 0.0 109.185 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.3 t60 -60.29 -45.05 94.7 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.318 -0.864 . . . . 0.0 109.398 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.2 -42.89 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.445 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.472 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.7 ttt -58.25 -36.8 73.75 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.48 -32.19 71.17 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.408 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.591 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 21.1 m -57.17 -37.81 72.66 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 77.7 mt -60.36 -40.53 91.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.498 -0.751 . . . . 0.0 109.561 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.3 mt -86.16 -45.07 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.292 -0.88 . . . . 0.0 111.57 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -76.23 -48.02 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 111.314 -178.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -79.51 98.9 7.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.25 -36.45 84.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.435 -0.791 . . . . 0.0 109.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.97 -47.16 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.0 110.279 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -65.1 -42.06 94.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 109.164 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.55 -38.06 89.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -46.71 78.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.504 -0.748 . . . . 0.0 109.864 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.57 -47.1 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.513 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.54 -41.53 92.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 109.196 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 tpt -62.32 -41.24 98.39 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.17 -42.15 98.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.58 HD22 ' HB3' ' B' ' 143' ' ' LEU . 15.7 t-20 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.242 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.85 -50.03 72.55 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.048 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.812 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.1 m -64.37 -45.25 88.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.349 -0.844 . . . . 0.0 108.851 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.8 mmm -63.39 -38.18 90.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.345 -0.847 . . . . 0.0 109.703 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -61.37 -47.06 87.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.5 -44.34 82.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 108.488 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.94 -41.39 96.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.693 -0.63 . . . . 0.0 110.057 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.446 ' HA ' HD23 ' B' ' 150' ' ' LEU . 41.4 m-20 -62.8 -37.52 87.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 110.387 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.67 -39.08 93.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.018 . . . . 0.0 110.327 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HB3' HD21 ' A' ' 121' ' ' LEU . 25.8 mmtt -62.57 -45.29 93.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 109.957 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.952 HD12 HD21 ' B' ' 150' ' ' LEU . 21.6 mt -67.8 -35.98 79.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.493 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -59.73 -43.5 94.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.544 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.1 mt-30 -65.61 -36.89 85.03 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -59.95 -33.9 72.54 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.704 ' HD2' HG13 ' B' ' 153' ' ' VAL . 62.1 tttt -59.42 -45.25 92.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.688 -0.632 . . . . 0.0 110.219 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 68.6 m-20 -160.84 -2.51 0.06 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.18 -0.95 . . . . 0.0 111.097 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -72.97 157.84 52.68 Favored Glycine 0 N--CA 1.493 2.465 0 O-C-N 120.662 -1.274 . . . . 0.0 109.935 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.9 140.75 74.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.738 2.292 . . . . 0.0 112.271 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.434 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.0 m-90 -105.86 134.77 48.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.024 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -154.77 172.57 17.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.72 -38.24 50.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.674 -0.641 . . . . 0.0 109.6 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.62 -42.76 75.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.983 -1.073 . . . . 0.0 109.1 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.544 HD13 ' OE1' ' A' ' 107' ' ' GLN . 40.4 tp -62.58 -35.6 80.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.897 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.5 tttt -57.82 -47.16 83.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.797 . . . . 0.0 110.213 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -68.11 -39.14 82.86 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.3 p -64.78 -35.31 80.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.081 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 121' ' ' LEU . 77.6 mt -63.37 -40.79 98.22 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.593 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.844 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.7 m95 -62.34 -36.81 83.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.502 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.44 95.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.3 m -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.365 -0.835 . . . . 0.0 109.776 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.561 HG23 HG23 ' A' ' 151' ' ' ILE . 91.4 mt -58.6 -42.18 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.31 -41.22 98.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.092 -1.005 . . . . 0.0 110.261 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.82 -38.75 89.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.562 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.708 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -63.56 -43.98 95.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.92 -36.57 81.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.076 -1.015 . . . . 0.0 110.009 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.65 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 93.0 m -65.38 -43.47 90.59 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.268 -0.895 . . . . 0.0 110.203 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.812 HD11 ' OG1' ' A' ' 97' ' ' THR . 92.9 mt -59.42 -42.51 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.071 -1.018 . . . . 0.0 110.348 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.844 HD21 HD12 ' A' ' 147' ' ' LEU . 87.5 mt -68.82 -45.29 71.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.93 -1.106 . . . . 0.0 110.034 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.609 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.8 t60 -69.61 -38.55 77.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 110.626 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.99 -32.37 72.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 111.275 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -143.3 58.7 1.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.747 -1.22 . . . . 0.0 111.258 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.73 -37.79 85.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.162 . . . . 0.0 109.354 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -28.91 68.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.56 -0.713 . . . . 0.0 111.104 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.06 0.32 57.47 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.825 -1.172 . . . . 0.0 110.385 -178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.7 mt -117.87 127.08 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.73 160.04 33.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.256 -0.903 . . . . 0.0 109.37 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.01 -38.49 91.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.952 . . . . 0.0 109.399 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.8 m -65.3 -45.12 85.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.464 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -63.06 -38.62 91.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 109.446 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.773 HG23 HD22 ' A' ' 132' ' ' LEU . 46.4 m -61.48 -39.92 92.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.19 -38.82 77.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 21.8 m -61.78 -41.47 97.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.159 -0.963 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.844 HD12 HD21 ' A' ' 132' ' ' LEU . 83.8 mt -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.46 -0.775 . . . . 0.0 109.628 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.76 -36.83 79.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.464 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 19.0 tttp -61.97 -41.06 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.93 . . . . 0.0 109.028 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 146' ' ' SER . 68.5 mtt85 -61.04 -41.91 97.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.032 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.9 mt -65.42 -43.93 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.8 mmtt -61.25 -39.14 89.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.617 -0.677 . . . . 0.0 109.763 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.55 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.9 t80 -58.53 -43.67 89.28 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.319 -0.863 . . . . 0.0 108.707 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.4 m -66.53 -41.28 89.0 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -58.85 -44.02 90.91 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.427 -0.795 . . . . 0.0 109.706 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.5 -50.2 53.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.768 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.6 -35.89 81.28 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 110.167 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.844 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -60.11 -39.5 86.4 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.103 -0.998 . . . . 0.0 108.734 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.6 t -66.96 -45.45 77.69 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.264 -0.898 . . . . 0.0 109.553 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -60.88 -38.2 84.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.751 . . . . 0.0 109.437 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 158' ' ' LEU . 19.2 mt -63.7 -36.78 85.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.35 -0.844 . . . . 0.0 109.373 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.64 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -69.65 -30.89 68.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.434 -0.791 . . . . 0.0 110.837 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -86.17 -1.77 57.74 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.845 -1.16 . . . . 0.0 110.206 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.99 16.06 79.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -74.36 -28.24 61.04 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.186 -1.185 . . . . 0.0 109.227 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.535 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.3 mm -107.29 133.35 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.352 -0.843 . . . . 0.0 109.197 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.567 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.572 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.3 mt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.559 ' C ' HD22 ' B' ' 129' ' ' ASN . 0.0 OUTLIER -73.98 20.0 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.672 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -62.39 -44.19 98.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.575 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -76.4 -40.36 51.06 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.76 -36.83 85.18 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.462 0.648 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.89 -47.22 85.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.433 -0.792 . . . . 0.0 109.226 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.481 HE22 HG21 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -67.75 -43.94 78.67 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.093 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' B' ' 136' ' ' MET . 50.6 t0 -175.08 165.3 3.42 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.427 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 51.2 ttm -69.66 85.66 0.46 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.95 -1.094 . . . . 0.0 108.748 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -133.6 159.61 39.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.389 -0.819 . . . . 0.0 109.947 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' B' ' 138' ' ' ASP . 54.1 p30 -88.39 -158.06 0.46 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.338 -0.851 . . . . 0.0 109.445 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -53.63 144.43 17.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.219 -0.926 . . . . 0.0 109.53 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' B' ' 140' ' ' MET . 3.7 mpp? -59.55 -40.63 87.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.313 -0.867 . . . . 0.0 109.746 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.33 -37.22 84.79 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.231 -0.918 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.12 -38.72 83.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.195 -0.941 . . . . 0.0 108.815 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.58 ' HB3' HD22 ' A' ' 95' ' ' ASN . 20.0 mt -58.76 -30.98 67.93 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 147' ' ' GLY . 52.0 mt -67.83 -30.19 47.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 120.928 -1.108 . . . . 0.0 108.018 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.7 -38.94 70.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -58.99 -35.7 73.67 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' B' ' 144' ' ' ILE . . . -61.24 -31.45 77.06 Favored Glycine 0 N--CA 1.484 1.835 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.61 -37.92 68.78 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.726 -1.456 . . . . 0.0 107.325 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.35 -34.17 74.84 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 105' ' ' LEU . 3.3 tm? -54.94 -43.93 73.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.85 -40.08 91.53 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.364 -0.835 . . . . 0.0 109.119 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.544 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 9.9 tm-20 -62.42 -39.52 93.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.688 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 109' ' ' LYS . 81.1 t -64.81 -49.88 77.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.483 -0.76 . . . . 0.0 110.253 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.55 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.54 -33.12 74.97 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.137 -0.977 . . . . 0.0 109.085 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.98 99.56 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.267 -0.895 . . . . 0.0 109.557 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.544 ' CE ' ' OE2' ' B' ' 152' ' ' GLU . 44.4 mtt -65.26 -37.6 87.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.044 -1.035 . . . . 0.0 109.628 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.49 -38.66 85.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.9 m-20 170.98 104.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.502 -0.748 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -58.3 -35.56 72.01 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 108.799 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 43.4 p -85.22 3.04 41.19 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.49 97.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -121.73 153.0 38.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.519 -0.989 . . . . 0.0 109.126 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.662 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -55.54 -34.51 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.087 -1.008 . . . . 0.0 109.171 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.56 -33.65 71.69 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.364 -0.835 . . . . 0.0 109.406 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.43 -24.33 57.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.638 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.6 mt -101.55 134.38 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.221 -0.924 . . . . 0.0 108.755 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.2 m -58.78 71.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.41 -0.806 . . . . 0.0 110.281 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.9 t0 -66.14 -38.56 88.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.06 76.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.051 . . . . 0.0 111.41 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 170' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.66 -44.13 64.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.94 -1.1 . . . . 0.0 109.73 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.1 -38.43 88.83 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.647 -0.658 . . . . 0.0 110.462 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.8 m-20 -61.12 -43.42 98.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.0 110.352 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.26 82.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.032 . . . . 0.0 109.791 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.5 mt-10 -65.35 -37.62 87.61 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 158' ' ' LEU . 17.7 tp -66.42 -36.7 83.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.97 -1.081 . . . . 0.0 110.69 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.0 m-20 -61.98 -36.86 82.74 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.97 -1.081 . . . . 0.0 108.507 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.32 68.81 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.272 -0.893 . . . . 0.0 108.68 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.64 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.0 mt -67.69 -38.01 83.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.454 -0.778 . . . . 0.0 110.35 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.25 -43.63 78.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.127 -0.983 . . . . 0.0 109.275 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.32 -36.13 81.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.429 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -70.12 -47.59 61.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 0.0 110.445 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 24.9 m-20 -68.58 -37.56 79.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -82.28 171.25 14.45 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.39 -0.818 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.451 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.29 117.64 34.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.367 -0.833 . . . . 0.0 109.384 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.461 HD12 ' N ' ' B' ' 185' ' ' LEU . 5.9 mp -91.66 140.25 25.12 Favored Pre-proline 0 C--N 1.299 -1.588 0 O-C-N 121.351 -0.843 . . . . 0.0 109.075 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo . . . . . 0 N--CA 1.491 1.33 0 C-N-CA 122.256 1.971 . . . . 0.0 112.205 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.465 ' HB2' ' CD ' ' A' ' 38' ' ' GLU . . . -61.68 -35.54 78.29 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 109.499 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.2 -35.49 75.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 109.554 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.17 -38.0 81.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.4 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.23 -39.65 93.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.0 109.437 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.15 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.202 -0.937 . . . . 0.0 109.687 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' A' ' 126' ' ' ASP . 9.2 ttm180 -59.84 -44.0 94.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.279 -0.888 . . . . 0.0 109.145 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.5 t -61.69 -39.54 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.8 -44.86 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.88 92.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.274 -0.891 . . . . 0.0 108.691 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m -62.02 -38.55 89.12 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.483 -0.761 . . . . 0.0 109.214 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.5 84.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.316 -0.865 . . . . 0.0 109.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -30.72 70.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 0.0 109.126 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.56 -41.31 94.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 23' ' ' ILE . 78.6 m-85 -63.99 -37.1 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.588 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -42.21 97.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.15 -0.968 . . . . 0.0 108.675 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -61.04 -30.43 70.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.47 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.502 -0.749 . . . . 0.0 109.726 -179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 4.93 63.19 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.475 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 20' ' ' LEU . 78.7 mt -95.93 69.35 2.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.977 -1.307 . . . . 0.0 109.197 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.65 -35.76 92.45 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.431 HD11 ' HE2' ' A' ' 79' ' ' MET . 78.5 mt -57.86 -43.24 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.295 . . . . 0.0 109.876 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.25 -48.92 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.008 -1.057 . . . . 0.0 108.645 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.11 -32.28 79.86 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.8 t80 -58.46 -49.41 77.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.474 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.4 m-85 -67.51 -36.24 80.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.173 -0.954 . . . . 0.0 110.244 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.7 mt -64.0 -41.77 97.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.016 -1.053 . . . . 0.0 110.345 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -39.86 92.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 108.969 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.47 -38.56 91.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.794 . . . . 0.0 109.161 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 34.9 t80 -62.76 -42.56 99.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.682 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.72 88.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.08 -1.012 . . . . 0.0 110.408 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.1 -47.28 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.063 -1.023 . . . . 0.0 110.488 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.4 mt-10 -63.39 -31.17 72.25 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.068 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -60.41 -48.08 83.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 45' ' ' MET . 98.0 mt -65.48 -43.12 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.204 -0.935 . . . . 0.0 109.448 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 36' ' ' LEU . 87.0 mt -64.75 -39.03 92.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.692 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -78.96 1.61 23.16 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.511 -0.743 . . . . 0.0 109.106 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' CD ' ' HB2' ' A' ' 2' ' ' ALA . 84.2 tt0 -95.2 127.46 41.27 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.43 -36.24 82.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.235 -0.916 . . . . 0.0 109.654 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.84 125.92 42.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.286 -0.884 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -131.78 144.07 50.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.429 -0.794 . . . . 0.0 109.523 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -114.03 158.44 21.19 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -52.12 -34.75 45.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.938 -1.101 . . . . 0.0 108.365 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.74 -45.13 79.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.961 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.419 ' O ' HD13 ' A' ' 35' ' ' ILE . 90.2 mmm -74.63 -41.98 59.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.825 -1.172 . . . . 0.0 109.594 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.5 m -61.66 -45.11 95.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 109.349 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.42 72.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.479 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.64 -40.09 95.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.62 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.93 94.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.232 -0.917 . . . . 0.0 109.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.13 -45.88 91.54 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.296 -0.877 . . . . 0.0 110.19 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.15 -38.23 79.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.9 . . . . 0.0 109.67 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.78 -36.94 85.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 81.7 mt -58.41 -39.54 80.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.043 . . . . 0.0 109.22 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.27 -42.6 99.48 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.357 -0.839 . . . . 0.0 109.403 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 m -64.58 -44.5 90.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.341 -0.85 . . . . 0.0 109.741 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.46 -51.26 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.123 -0.986 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -38.82 90.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.29 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 109.225 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.6 t80 -65.51 -48.17 73.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 109.676 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 64' ' ' GLY . 28.4 tttt -60.69 -35.04 75.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.203 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.05 -34.66 78.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.075 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.3 -31.46 70.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.237 -0.914 . . . . 0.0 109.259 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 63' ' ' ILE . 4.9 mp -120.28 8.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.448 -0.782 . . . . 0.0 109.581 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.93 -37.82 45.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.37 3.87 66.72 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -36.73 81.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.992 -1.299 . . . . 0.0 108.992 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.99 -29.85 0.89 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.64 -32.21 73.62 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.04 -39.98 96.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.425 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.99 -39.82 42.29 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.202 -0.936 . . . . 0.0 108.844 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.19 -38.5 83.46 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.279 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -134.49 -60.26 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.849 . . . . 0.0 110.159 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 69' ' ' ALA . 56.0 t0 59.64 -6.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.523 -0.736 . . . . 0.0 109.181 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 72' ' ' SER . 19.1 ttpp -100.16 -81.21 0.47 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.191 -0.943 . . . . 0.0 108.885 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -68.06 -35.29 77.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.416 -0.802 . . . . 0.0 109.833 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 76' ' ' LEU . 35.0 tp -67.49 -35.4 79.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.925 -1.109 . . . . 0.0 109.479 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.485 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.4 t60 -60.24 -45.13 94.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.066 -1.021 . . . . 0.0 108.531 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.458 ' HE1' HD21 ' B' ' 133' ' ' LEU . 7.2 ttt -58.54 -36.42 73.86 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.49 -32.72 71.7 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.593 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 27.6 m -56.78 -37.65 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -60.02 -40.24 88.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.473 -0.767 . . . . 0.0 109.495 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.405 HG23 ' CE2' ' A' ' 25' ' ' TYR . 59.8 mt -84.4 -45.62 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.207 -0.933 . . . . 0.0 110.986 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.425 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 76.3 m80 -74.0 -47.04 39.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 111.108 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -83.41 100.92 11.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.856 -1.153 . . . . 0.0 109.897 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.488 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.0 mp0 -64.61 -35.51 81.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.279 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.47 -48.14 80.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.156 -0.965 . . . . 0.0 110.609 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.826 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 57.1 tttm -65.56 -39.76 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.066 -1.021 . . . . 0.0 109.153 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.29 -37.75 86.75 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.453 -0.779 . . . . 0.0 108.948 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -46.53 68.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.399 -0.813 . . . . 0.0 109.451 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.68 -46.16 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.171 -0.956 . . . . 0.0 109.809 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -65.01 -42.84 94.06 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.095 -1.003 . . . . 0.0 109.483 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.36 -40.85 97.78 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.981 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.21 -42.77 96.47 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.359 -0.838 . . . . 0.0 108.866 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.1 m120 -63.17 -40.74 98.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.01 -49.86 66.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.914 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.833 ' OG1' HD11 ' A' ' 131' ' ' ILE . 51.9 m -62.72 -44.44 96.21 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.394 -0.816 . . . . 0.0 109.01 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.3 mmm -63.08 -38.27 90.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 109.628 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.5 m -62.06 -46.23 90.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.234 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.76 -44.86 80.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 52.4 t80 -61.18 -43.07 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.659 -0.651 . . . . 0.0 109.666 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.476 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.4 t-20 -61.73 -38.57 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.5 -40.01 95.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 110.282 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.593 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 26.6 mmtt -64.94 -45.66 84.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.058 -1.026 . . . . 0.0 110.039 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 150' ' ' LEU . 20.1 mt -67.71 -36.09 79.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 108.534 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -60.02 -44.5 94.55 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.2 mt-30 -65.3 -36.87 85.41 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -58.5 -33.51 69.9 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' B' ' 153' ' ' VAL . 64.2 tttt -59.36 -38.93 81.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.709 -0.619 . . . . 0.0 110.08 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.6 m-20 -168.42 -20.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.64 157.81 5.11 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.75 140.55 74.7 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.922 2.415 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 167' ' ' GLY . 3.0 m-90 -106.38 137.61 44.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -154.33 172.23 18.0 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.937 -1.102 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.47 -39.13 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.677 -0.639 . . . . 0.0 109.292 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.6 ttp -56.41 -42.36 77.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.742 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 107' ' ' GLN . 37.3 tp -62.27 -36.73 82.96 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.313 -0.867 . . . . 0.0 109.019 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.9 tttt -57.71 -48.11 80.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.094 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -67.61 -38.87 84.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.383 -0.823 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.593 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.3 t -61.98 -38.88 90.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.08 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 121' ' ' LEU . 84.6 mt -61.41 -39.71 91.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.975 -1.078 . . . . 0.0 109.032 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.88 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.9 m95 -61.77 -38.38 87.79 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.413 -0.804 . . . . 0.0 109.188 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -41.84 95.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.494 -0.754 . . . . 0.0 109.659 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 50.5 m -61.81 -39.98 93.63 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.739 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.54 -42.57 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.013 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.588 ' OD1' ' NH1' ' A' ' 7' ' ' ARG . 92.1 m-20 -62.35 -41.11 98.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.989 . . . . 0.0 110.359 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.32 -40.65 95.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 0.0 110.648 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.671 ' HB3' HD11 ' A' ' 151' ' ' ILE . 23.9 m-85 -63.92 -42.82 97.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.866 -1.146 . . . . 0.0 110.311 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.79 -36.45 81.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.026 . . . . 0.0 109.907 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.0 -41.68 81.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.796 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.833 HD11 ' OG1' ' A' ' 97' ' ' THR . 94.0 mt -59.35 -42.34 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 110.468 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.639 HD21 HD12 ' A' ' 147' ' ' LEU . 85.6 mt -69.23 -45.29 70.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.006 -1.059 . . . . 0.0 110.337 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.585 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -66.97 -43.44 83.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.404 -0.81 . . . . 0.0 111.208 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.548 HD12 ' SG ' ' A' ' 130' ' ' CYS . 87.6 mt -61.18 -31.79 71.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 86' ' ' GLN . 5.6 m-90 -139.74 56.33 1.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.723 -1.236 . . . . 0.0 111.281 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -62.17 -38.43 89.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.916 -1.115 . . . . 0.0 109.38 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.02 -28.69 68.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.482 -0.762 . . . . 0.0 111.192 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.419 HD21 ' HA ' ' A' ' 138' ' ' ASN . 1.1 t-20 -91.87 1.02 57.45 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.5 mt -117.64 125.92 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 109.136 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 160.03 33.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -63.82 -38.9 92.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.5 m -65.62 -45.42 83.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.3 m -62.73 -38.62 91.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.359 -0.838 . . . . 0.0 109.272 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.62 HG23 HD22 ' A' ' 132' ' ' LEU . 44.6 m -61.4 -39.47 90.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.458 -0.776 . . . . 0.0 109.349 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.75 -38.97 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.578 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 m -61.85 -41.39 97.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.17 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.639 HD12 HD21 ' A' ' 132' ' ' LEU . 87.2 mt -66.7 -40.98 88.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.378 -0.826 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.84 -37.35 81.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.435 -0.791 . . . . 0.0 109.435 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -62.26 -41.56 98.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.961 . . . . 0.0 108.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.7 mtt85 -61.47 -41.84 97.87 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.403 -0.811 . . . . 0.0 108.974 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -65.48 -43.33 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.578 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.2 mmtt -61.25 -39.78 91.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' B' ' 154' ' ' LEU . 20.2 t80 -57.18 -43.66 82.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.367 -0.833 . . . . 0.0 108.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.81 -42.19 86.31 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.259 -0.9 . . . . 0.0 108.754 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -59.03 -43.46 91.62 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.447 HG23 HD13 ' B' ' 171' ' ' LEU . 89.5 mt -69.2 -49.16 64.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 O-C-N 120.89 -1.131 . . . . 0.0 110.696 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.767 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.6 m-85 -65.92 -35.55 80.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.987 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 1.016 HD23 HD11 ' B' ' 175' ' ' LEU . 32.5 tp -59.85 -36.02 75.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.817 -1.177 . . . . 0.0 108.414 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.587 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.1 OUTLIER -70.29 -39.14 75.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 109.531 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.08 -39.34 85.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.3 mt -59.62 -36.32 76.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 108.557 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.86 -29.03 70.26 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.457 -0.777 . . . . 0.0 109.409 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -80.35 -16.03 55.49 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.231 -0.918 . . . . 0.0 109.385 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.99 81.79 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 108.404 -1.879 . . . . 0.0 108.404 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.61 -28.41 60.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.558 -0.966 . . . . 0.0 109.844 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.0 131.59 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.175 -0.953 . . . . 0.0 108.93 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.57 ' O ' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.093 0 CA-C-O 117.916 -1.491 . . . . 0.0 109.646 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.562 HG22 ' OD1' ' B' ' 129' ' ' ASN . 80.2 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.562 ' OD1' HG22 ' B' ' 128' ' ' ILE . 36.9 m-20 -75.83 20.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.826 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 19.8 tt -64.81 -41.72 92.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.548 ' N ' HG23 ' B' ' 130' ' ' ILE . 83.1 m-20 -74.87 -41.63 59.43 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.96 -39.46 87.25 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.481 0.658 . . . . 0.0 109.824 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LEU . . . . . 0.458 HD21 ' HE1' ' A' ' 79' ' ' MET . 3.2 tt -63.13 -48.15 79.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.529 -0.732 . . . . 0.0 110.558 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -73.37 -39.08 65.43 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.589 -0.694 . . . . 0.0 110.474 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' B' ' 136' ' ' MET . 56.5 t0 -150.41 151.0 32.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 109.792 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.43 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 96.4 mmm -59.17 -30.96 68.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.357 -0.839 . . . . 0.0 109.631 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -54.61 142.7 27.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.55 -40.47 97.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.475 -0.766 . . . . 0.0 111.814 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -132.94 149.49 52.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.959 -1.088 . . . . 0.0 111.541 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.418 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm -63.63 -37.06 85.92 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.951 0.881 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.6 -32.45 65.28 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.2 -35.72 72.05 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.13 -34.04 71.59 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.12 -30.55 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.26 -0.9 . . . . 0.0 108.937 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.06 -36.68 75.46 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -59.15 -35.99 74.49 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.05 82.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -55.83 -38.88 70.62 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.854 -1.38 . . . . 0.0 107.747 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -61.09 -33.95 74.16 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.957 HD11 HD12 ' A' ' 105' ' ' LEU . 39.6 tp -55.26 -41.75 72.63 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.286 -0.884 . . . . 0.0 108.778 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.76 -42.1 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.1 tm-20 -63.26 -40.25 96.89 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 109' ' ' LYS . 93.1 t -65.4 -49.41 78.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.404 -0.81 . . . . 0.0 110.158 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.6 -33.23 75.2 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.012 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.76 97.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.355 -0.84 . . . . 0.0 109.715 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.653 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -63.36 -39.0 93.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.509 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.2 t-20 -60.74 -38.02 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 109.236 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 0.7 OUTLIER 167.42 106.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.474 -0.766 . . . . 0.0 109.105 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.04 -35.35 71.18 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.193 -0.942 . . . . 0.0 108.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.4 p -83.09 2.93 32.73 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.89 0.06 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -123.72 153.53 40.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.584 -0.951 . . . . 0.0 109.062 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.659 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -54.65 -36.37 64.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.107 -0.996 . . . . 0.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.95 -32.92 71.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.903 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 -27.51 59.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 110.246 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 52.2 mt -98.36 135.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 108.896 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 167' ' ' SER . . . . . 0.702 ' O ' HD12 ' B' ' 171' ' ' LEU . 23.1 m -57.04 74.85 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.1 t0 -63.85 -36.47 84.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.793 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.01 76.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.121 -0.987 . . . . 0.0 111.62 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -71.54 -44.65 64.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.789 -1.195 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' LEU . . . . . 0.702 HD12 ' O ' ' B' ' 167' ' ' SER . 15.1 mt -61.26 -38.53 87.05 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.704 -0.623 . . . . 0.0 110.021 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.578 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 96.4 m-20 -65.45 -43.22 91.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 110.63 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.03 82.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.189 -0.944 . . . . 0.0 110.401 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.03 -30.16 70.64 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 109.757 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 1.016 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -65.52 -42.86 91.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 110.674 -179.423 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -63.32 -42.96 99.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.948 -1.095 . . . . 0.0 109.126 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.78 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.101 -0.999 . . . . 0.0 108.834 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -61.88 -37.51 84.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.403 -0.811 . . . . 0.0 109.577 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.77 -40.33 79.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.122 -0.986 . . . . 0.0 108.624 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.99 -31.83 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.528 -0.733 . . . . 0.0 109.249 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.58 -43.22 99.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.315 -0.866 . . . . 0.0 110.575 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -93.36 -27.99 16.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.019 -1.051 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.82 172.24 12.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.433 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.39 118.52 36.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.317 -0.864 . . . . 0.0 109.318 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.424 HD12 ' N ' ' B' ' 185' ' ' LEU . 5.2 mp -91.7 139.87 24.98 Favored Pre-proline 0 C--N 1.299 -1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 109.178 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.492 1.396 0 C-N-CA 122.158 1.905 . . . . 0.0 112.214 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.75 80.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.291 -0.881 . . . . 0.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -60.66 -37.08 80.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.898 . . . . 0.0 109.342 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.3 t-20 -60.29 -38.28 83.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.384 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.623 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.27 -39.56 93.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.37 88.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.976 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.506 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 49.1 ttt-85 -59.79 -40.83 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.221 -0.925 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.578 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.2 t -60.66 -40.01 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' NZ ' ' A' ' 13' ' ' LYS . 74.3 t -62.25 -47.49 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 109.137 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -41.37 80.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.874 . . . . 0.0 108.655 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 63.5 m -61.95 -38.88 90.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.86 -39.68 78.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.543 ' NZ ' HG12 ' A' ' 9' ' ' VAL . 51.7 mttp -61.19 -30.89 70.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.042 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -60.63 -40.75 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.432 -0.793 . . . . 0.0 109.497 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 23' ' ' ILE . 76.7 m-85 -63.61 -38.42 91.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.367 -0.833 . . . . 0.0 109.5 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.93 -39.75 90.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.091 -1.006 . . . . 0.0 108.964 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.54 -32.67 71.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 0.0 109.262 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.75 -7.94 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.326 -0.859 . . . . 0.0 109.762 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.88 4.99 63.03 Favored Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.45 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 20' ' ' LEU . 59.4 mt -94.1 57.62 2.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.102 -1.234 . . . . 0.0 109.342 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.15 -33.46 69.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mm -57.95 -43.44 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.246 . . . . 0.0 109.552 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.9 mm -67.65 -47.9 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.011 -1.055 . . . . 0.0 108.866 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.56 80.71 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 86.3 t80 -58.68 -48.11 82.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.369 -1.077 . . . . 0.0 109.895 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 31.3 m-85 -67.3 -35.77 80.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.195 -0.941 . . . . 0.0 109.988 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.94 -40.6 96.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.055 -1.028 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.495 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -61.08 -40.17 92.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.989 -1.069 . . . . 0.0 108.875 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.5 -39.25 93.44 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.786 ' CE1' HD11 ' A' ' 34' ' ' LEU . 47.9 t80 -64.79 -43.84 91.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.543 -0.723 . . . . 0.0 110.344 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.88 85.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 110.286 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.33 -48.06 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.475 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -64.57 -31.81 73.19 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.801 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.45 -47.15 87.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.24 -0.912 . . . . 0.0 109.834 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.71 -46.23 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.66 -37.79 88.66 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.407 -0.808 . . . . 0.0 109.5 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -68.39 -13.52 62.34 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -86.71 124.24 32.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.542 -0.724 . . . . 0.0 109.44 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.85 -36.16 81.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.846 . . . . 0.0 109.801 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -89.56 125.72 35.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -137.66 142.15 41.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 45' ' ' MET . 30.3 t -110.16 158.22 18.57 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.55 55.63 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.863 -1.148 . . . . 0.0 108.389 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.26 -41.84 72.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.379 -0.825 . . . . 0.0 109.782 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.46 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -70.91 -40.89 71.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.806 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -62.53 -42.4 99.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.559 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.34 -33.88 76.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.26 -39.97 94.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.304 -0.872 . . . . 0.0 109.763 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.13 90.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 m -60.38 -45.65 92.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.412 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.18 -38.32 76.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.8 mt -64.1 -38.37 90.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.154 -0.966 . . . . 0.0 109.938 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.76 -39.59 81.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.95 -43.06 99.82 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.28 -0.888 . . . . 0.0 109.279 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.495 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -66.88 -46.7 74.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.709 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.2 mt -60.08 -48.73 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.401 -0.812 . . . . 0.0 109.334 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.12 -39.36 94.47 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 108.994 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.51 81.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.849 . . . . 0.0 108.952 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -65.08 -48.69 72.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.817 . . . . 0.0 109.514 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 43.1 tttt -64.2 -39.56 94.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.023 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -63.15 -33.66 75.95 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.79 -31.45 68.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.757 . . . . 0.0 109.038 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 63' ' ' ILE . 74.2 mt -123.77 9.43 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.523 -0.736 . . . . 0.0 109.763 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.49 -37.8 61.39 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.68 2.96 64.73 Favored Glycine 0 N--CA 1.489 2.206 0 O-C-N 121.196 -1.179 . . . . 0.0 110.163 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.11 -36.94 81.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.005 -1.291 . . . . 0.0 109.026 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.92 -29.64 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.63 -30.44 71.55 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.18 83.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.461 -0.774 . . . . 0.0 109.366 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.73 -43.49 85.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.015 -1.053 . . . . 0.0 108.449 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -64.8 -38.69 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 t -158.76 98.72 1.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' OD1' ' O ' ' A' ' 73' ' ' ASP . 60.7 t0 -98.09 7.2 46.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.58 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -97.7 -75.79 0.54 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.07 -39.69 86.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.371 -0.831 . . . . 0.0 111.325 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -67.4 -35.71 79.83 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.798 -1.189 . . . . 0.0 109.998 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 52.3 t-80 -59.46 -45.2 92.29 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.97 . . . . 0.0 109.53 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.58 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.8 -42.15 94.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 108.636 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.454 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 ttt -58.32 -36.53 73.52 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.82 71.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.8 -37.52 71.29 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.6 mt -60.19 -40.64 90.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.488 -0.758 . . . . 0.0 109.477 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.1 mt -86.07 -45.4 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.206 -0.934 . . . . 0.0 111.284 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -74.17 -47.72 33.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 111.26 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -81.26 101.32 9.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 0.0 109.636 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.6 -37.06 86.25 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -47.69 84.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.948 . . . . 0.0 110.44 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.794 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 59.1 tttm -66.04 -43.01 88.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 109.166 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.25 -37.95 89.32 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -45.2 75.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.503 -0.748 . . . . 0.0 110.159 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 91' ' ' ILE . 54.5 mt -65.21 -41.75 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.042 . . . . 0.0 109.37 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.737 ' CE2' ' NE2' ' B' ' 134' ' ' GLN . 63.0 t80 -64.26 -42.95 96.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.255 -0.903 . . . . 0.0 109.737 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.62 -40.43 96.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 109.784 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.86 -40.14 91.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.493 ' O ' ' OG ' ' A' ' 99' ' ' SER . 1.2 t30 -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 109.686 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.93 -47.78 81.79 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.301 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.8 m -63.23 -46.12 88.44 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.1 mmm -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.191 -0.943 . . . . 0.0 109.634 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 40.2 m -61.18 -46.15 91.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.148 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.629 HD11 ' HZ1' ' A' ' 104' ' ' LYS . 59.8 tp -66.72 -44.69 80.92 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.874 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.4 t80 -61.36 -42.57 98.91 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.657 -0.652 . . . . 0.0 109.496 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.0 -38.39 85.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 0.0 109.642 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -42.05 99.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.277 -0.889 . . . . 0.0 109.902 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HZ1' HD11 ' A' ' 100' ' ' LEU . 14.3 mmtm -63.53 -45.07 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.928 . . . . 0.0 109.587 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 101' ' ' TYR . 61.4 mt -65.74 -36.99 85.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.25 -0.906 . . . . 0.0 108.844 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -61.32 -46.04 91.92 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.1 mm-40 -63.01 -36.68 84.35 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.8 tp -58.86 -32.93 69.9 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.626 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 15.5 tttt -58.91 -40.6 85.0 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.659 -0.651 . . . . 0.0 110.081 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.27 -8.46 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.986 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -64.58 157.42 44.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -62.9 139.39 73.77 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.782 2.321 . . . . 0.0 112.368 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.427 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.5 m-90 -105.95 134.56 48.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.412 -0.805 . . . . 0.0 108.873 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -154.47 173.1 16.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.042 -1.037 . . . . 0.0 110.513 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.2 t -55.67 -38.26 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.717 -0.614 . . . . 0.0 109.486 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.17 -42.69 77.45 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.888 -1.132 . . . . 0.0 108.939 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.44 -36.47 82.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.279 -0.888 . . . . 0.0 109.002 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 83.9 tttt -57.49 -47.39 82.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.426 -0.796 . . . . 0.0 110.255 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -67.41 -39.2 85.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.375 -0.828 . . . . 0.0 110.002 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.1 p -65.44 -35.04 79.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 121' ' ' LEU . 76.0 mt -63.32 -41.02 98.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.869 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.0 m95 -63.18 -36.54 83.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.889 . . . . 0.0 108.858 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -41.99 98.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.572 -0.705 . . . . 0.0 109.754 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -39.99 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.484 HG23 HG23 ' A' ' 151' ' ' ILE . 92.6 mt -57.7 -42.38 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.979 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.46 -40.51 94.76 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.197 -0.939 . . . . 0.0 109.847 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.18 -39.28 94.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.274 -0.891 . . . . 0.0 110.417 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 151' ' ' ILE . 21.7 m-85 -64.6 -42.82 95.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.047 -1.033 . . . . 0.0 110.524 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -65.04 -31.68 73.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 109.995 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.91 76.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.136 -0.977 . . . . 0.0 109.774 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.751 HD11 ' OG1' ' A' ' 97' ' ' THR . 93.5 mt -59.47 -45.29 93.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.062 -1.024 . . . . 0.0 110.137 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 147' ' ' LEU . 90.4 mt -70.48 -44.12 68.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.096 -1.003 . . . . 0.0 110.205 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.597 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 12.1 t60 -67.58 -45.15 76.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.468 -0.77 . . . . 0.0 111.154 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 130' ' ' CYS . 88.6 mt -61.43 -33.01 73.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.2 -0.937 . . . . 0.0 111.414 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -136.41 57.75 1.76 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -62.06 -39.44 92.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.994 -1.066 . . . . 0.0 109.463 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.68 -27.55 65.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.434 -0.791 . . . . 0.0 111.759 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -92.01 2.47 56.53 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.622 -1.299 . . . . 0.0 110.91 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.422 HD13 HD23 ' A' ' 132' ' ' LEU . 74.4 mt -116.88 129.65 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.185 -0.947 . . . . 0.0 109.17 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.6 159.73 33.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 0.0 109.679 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.16 -38.97 92.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.356 -0.84 . . . . 0.0 109.734 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.4 m -63.92 -45.77 87.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.451 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.6 t -63.19 -37.32 86.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.343 -0.848 . . . . 0.0 109.22 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.456 HG23 HD22 ' A' ' 132' ' ' LEU . 39.5 m -60.35 -41.42 93.61 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.71 -39.52 81.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.859 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.535 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 t -62.0 -43.22 99.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 132' ' ' LEU . 84.8 mt -65.86 -41.36 91.74 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.413 -0.804 . . . . 0.0 109.948 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.09 -37.19 81.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.35 -41.06 98.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.179 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.8 mtt85 -61.14 -41.72 97.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 109.152 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.589 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.3 mmtt -61.06 -39.39 89.65 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.686 -0.634 . . . . 0.0 109.657 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.506 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.1 t80 -57.88 -43.67 86.22 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.51 -0.744 . . . . 0.0 109.111 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.46 -41.1 93.75 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 108.859 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -58.49 -43.91 89.19 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.388 -0.82 . . . . 0.0 109.68 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.52 -50.64 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.249 -0.907 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.68 -35.76 80.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.378 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.869 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.8 tp -60.12 -38.3 82.6 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 108.532 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 m -66.65 -45.82 77.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.367 -0.833 . . . . 0.0 109.255 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -61.5 -38.67 88.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.617 -0.677 . . . . 0.0 109.609 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.9 mt -63.64 -41.52 98.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.284 -0.885 . . . . 0.0 109.705 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.37 61.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -84.29 -3.37 58.19 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.787 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.16 12.36 84.69 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.11 -29.13 60.49 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.232 -1.158 . . . . 0.0 109.985 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.6 mm -106.42 133.2 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.162 -0.961 . . . . 0.0 109.239 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 CA-C-O 117.933 -1.481 . . . . 0.0 109.54 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.909 HG23 ' H ' ' B' ' 129' ' ' ASN . 16.4 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.909 ' H ' HG23 ' B' ' 128' ' ' ILE . 75.8 m-20 -75.36 18.99 0.18 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.489 -1.382 . . . . 0.0 108.073 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.794 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 20.5 tt -69.69 -43.36 80.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.578 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.4 m-20 -69.11 -41.81 76.92 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.84 -46.31 79.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.45 -46.23 84.03 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.745 0.783 . . . . 0.0 109.415 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.737 ' NE2' ' CE2' ' A' ' 92' ' ' TYR . 24.1 tp60 -63.28 -40.73 98.21 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.819 -0.551 . . . . 0.0 110.046 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.45 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 53.0 p30 -172.82 165.61 5.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.069 -1.019 . . . . 0.0 110.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 70.9 mtm -60.65 -33.23 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.438 -0.789 . . . . 0.0 109.484 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.59 ' HG3' HD11 ' B' ' 143' ' ' LEU . 89.2 mm-40 -59.9 155.42 16.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.446 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -91.38 -111.99 0.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -0.922 . . . . 0.0 110.581 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.26 142.54 51.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.849 . . . . 0.0 110.749 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 55.3 mtt -60.9 -37.04 80.85 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 122.004 0.907 . . . . 0.0 109.074 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 68.8 mt -56.58 -33.07 65.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.223 -0.923 . . . . 0.0 109.204 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.65 -36.87 77.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.183 -0.948 . . . . 0.0 108.694 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.621 HD22 ' N ' ' B' ' 143' ' ' LEU . 3.7 mm? -60.75 -31.14 70.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 0.0 108.65 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.88 -31.98 54.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -57.7 -38.97 76.13 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -59.42 -35.8 74.66 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.29 80.22 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.78 -38.7 70.27 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.96 -34.0 72.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.701 ' O ' HD23 ' B' ' 150' ' ' LEU . 6.1 tt -55.0 -43.03 73.23 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.54 -39.82 92.45 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.344 -0.848 . . . . 0.0 109.254 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.567 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.2 tm-20 -61.77 -38.55 88.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.495 -0.753 . . . . 0.0 109.683 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 33.2 t -65.46 -50.18 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.162 -0.961 . . . . 0.0 110.216 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 154' ' ' LEU . 1.5 mm? -66.26 -33.33 75.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 109.267 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.21 99.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.626 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.1 mtp -66.45 -38.64 87.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 109.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.1 t-20 -60.67 -38.25 84.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.8 m-20 170.5 107.31 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.831 . . . . 0.0 109.277 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.85 -35.23 70.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.9 p -85.21 2.84 42.06 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.63 97.99 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -126.36 154.3 43.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.943 . . . . 0.0 109.089 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.715 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.0 -34.05 63.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 109.464 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.58 -32.97 70.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.374 -0.829 . . . . 0.0 109.73 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.48 -22.91 56.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.3 -0.875 . . . . 0.0 109.908 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.6 mt -102.68 134.29 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.227 -0.92 . . . . 0.0 108.989 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 13.6 t -59.67 70.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.415 -0.803 . . . . 0.0 110.168 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.1 t0 -64.04 -38.17 90.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.5 -48.91 77.49 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.981 -1.074 . . . . 0.0 111.333 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -42.71 68.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.883 -1.136 . . . . 0.0 109.841 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.39 -38.25 90.42 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.589 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -60.96 -42.47 98.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.67 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.68 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.053 -1.029 . . . . 0.0 110.199 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.5 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.77 -37.26 81.84 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.177 -0.952 . . . . 0.0 110.31 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.1 -37.08 80.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.04 -1.037 . . . . 0.0 110.553 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -62.71 -39.68 94.79 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.003 -1.06 . . . . 0.0 109.123 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.44 -42.95 64.45 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.104 -0.998 . . . . 0.0 108.344 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.458 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.2 tp -65.12 -38.38 90.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.556 -0.715 . . . . 0.0 109.651 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.83 -41.68 71.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.216 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 180' ' ' GLN . . . . . 0.404 ' O ' HD21 ' B' ' 185' ' ' LEU . 83.4 mt-30 -61.28 -36.32 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 108.995 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.44 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.2 tm-20 -67.58 -46.37 72.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.385 -0.822 . . . . 0.0 109.95 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 47.5 m-20 -70.74 -36.22 73.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.419 -0.801 . . . . 0.0 109.761 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -86.68 170.26 11.95 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.268 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.95 121.57 45.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.457 -0.777 . . . . 0.0 109.23 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.831 HD22 ' N ' ' B' ' 185' ' ' LEU . 1.5 mm? -91.28 138.03 25.88 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.31 -0.869 . . . . 0.0 108.844 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo . . . . . 0 N--CA 1.493 1.447 0 C-N-CA 122.154 1.903 . . . . 0.0 112.305 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.346 0.593 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.73 77.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 0.0 109.44 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m -60.36 -37.07 79.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.406 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 86.6 m-20 -60.44 -36.69 78.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.244 -0.91 . . . . 0.0 109.443 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.07 -39.43 92.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.08 90.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.928 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.539 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 45.2 ttt-85 -59.83 -41.02 90.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.116 -0.99 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.3 t -60.64 -40.09 83.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.07 -47.36 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 108.641 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.539 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 51.7 m -61.29 -38.33 86.41 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.02 81.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 108.717 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.54 -33.1 72.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.141 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -60.5 -38.7 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 108.977 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE2' HG21 ' A' ' 23' ' ' ILE . 54.8 m-85 -62.88 -42.33 99.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.257 -0.902 . . . . 0.0 108.818 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.23 -41.57 97.11 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.75 -11.35 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.648 -0.658 . . . . 0.0 109.492 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.15 4.7 62.76 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' H ' HG12 ' A' ' 18' ' ' VAL . 93.1 mt -101.69 72.44 1.38 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.035 -1.273 . . . . 0.0 109.226 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.95 -32.87 85.62 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.855 HD12 HE22 ' B' ' 134' ' ' GLN . 75.6 mt -57.45 -43.24 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.991 -1.3 . . . . 0.0 109.93 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.827 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.6 mm -66.57 -47.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 108.791 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.77 83.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 87.1 t80 -58.77 -48.9 79.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -1.049 . . . . 0.0 109.793 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 40.0 m-85 -67.34 -36.73 82.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.029 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.2 mt -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.043 -1.035 . . . . 0.0 110.083 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.547 HE22 HG21 ' A' ' 55' ' ' THR . 96.9 mt-30 -61.03 -39.97 91.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.958 -1.089 . . . . 0.0 108.539 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.13 -39.02 92.45 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE1' HD11 ' A' ' 34' ' ' LEU . 68.1 t80 -65.07 -45.6 84.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.655 -0.653 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.82 88.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.111 -0.993 . . . . 0.0 109.977 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.09 -47.85 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.953 . . . . 0.0 110.201 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.582 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.54 -32.84 74.65 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.363 -0.835 . . . . 0.0 109.749 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.4 -46.35 90.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.279 -0.888 . . . . 0.0 109.651 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.54 -46.38 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.841 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.47 -38.72 92.01 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.364 -0.835 . . . . 0.0 109.523 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.7 t -68.63 -10.75 57.99 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -92.88 126.07 37.78 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.373 -0.829 . . . . 0.0 109.485 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.91 -35.21 79.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.791 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.63 125.63 33.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 110.045 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -142.09 143.95 33.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.637 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.16 158.89 20.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -52.85 -34.3 53.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.862 -1.148 . . . . 0.0 108.45 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -69.97 -44.06 70.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.283 -0.885 . . . . 0.0 109.799 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.454 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.1 mtp -69.01 -40.91 78.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.825 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.0 109.633 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.17 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -0.821 . . . . 0.0 109.952 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.27 -40.34 95.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.747 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.56 88.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.124 -0.985 . . . . 0.0 109.675 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.45 -45.78 92.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 110.504 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -38.12 74.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 0.0 109.735 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.1 mt -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 109.931 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.22 -39.01 77.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.057 -1.027 . . . . 0.0 109.173 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.16 -43.37 98.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.237 -0.914 . . . . 0.0 109.38 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.547 HG21 HE22 ' A' ' 28' ' ' GLN . 46.7 m -68.42 -47.49 67.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.918 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 52' ' ' LEU . 3.1 mt -60.76 -48.46 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.281 -0.887 . . . . 0.0 109.774 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.92 -40.41 91.41 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.037 -1.039 . . . . 0.0 109.225 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.29 80.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 108.938 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -61.86 -47.17 86.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.749 . . . . 0.0 110.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.592 ' O ' ' N ' ' A' ' 64' ' ' GLY . 39.5 tttt -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -63.31 -33.16 74.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 108.684 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.2 -31.06 66.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.654 HG22 ' O ' ' A' ' 63' ' ' ILE . 70.7 mt -123.76 7.83 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.584 -0.697 . . . . 0.0 109.774 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.66 -37.87 62.38 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.56 63.79 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -37.76 73.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.907 -1.349 . . . . 0.0 108.958 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -135.21 -29.73 1.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.17 -31.45 72.6 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.89 -35.69 77.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.388 -0.82 . . . . 0.0 109.24 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -58.4 -42.9 88.16 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.049 -1.032 . . . . 0.0 108.505 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -65.24 -39.4 92.66 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -158.79 95.49 1.3 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -93.81 6.85 47.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 0.0 109.689 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -95.87 -75.36 0.53 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.16 -0.962 . . . . 0.0 110.004 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -67.32 -40.26 85.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.806 . . . . 0.0 111.39 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.51 HD11 HG23 ' A' ' 63' ' ' ILE . 31.4 tp -68.41 -34.98 76.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.486 -1.384 . . . . 0.0 109.779 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.6 t60 -60.02 -45.06 94.01 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.235 -0.916 . . . . 0.0 109.584 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.12 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.838 ' HE2' HD11 ' A' ' 22' ' ' ILE . 9.6 ttt -58.84 -36.48 74.63 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.42 -32.83 71.73 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.542 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.0 m -57.15 -37.52 72.17 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.08 -40.8 90.81 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.42 -0.8 . . . . 0.0 109.443 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.5 mt -85.06 -45.78 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.135 -0.978 . . . . 0.0 111.077 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' ND1' ' ND2' ' A' ' 80' ' ' ASN . 77.7 m80 -72.82 -46.76 51.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.34 -0.85 . . . . 0.0 111.138 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -83.15 99.12 9.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.903 -1.123 . . . . 0.0 109.613 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.453 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.1 mp0 -64.53 -35.98 82.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 110.21 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.81 -47.68 84.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.0 110.158 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 61.2 tttm -66.32 -41.74 89.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.443 -0.786 . . . . 0.0 108.894 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -44.72 70.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.49 -0.756 . . . . 0.0 109.684 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.467 HG22 ' OD1' ' A' ' 95' ' ' ASN . 82.4 mt -65.05 -40.07 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.161 -0.962 . . . . 0.0 109.694 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -65.72 -43.86 87.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.638 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -62.15 -41.15 98.0 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.987 . . . . 0.0 108.509 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.4 tp -65.56 -42.2 92.11 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.475 HD21 ' CG1' ' B' ' 144' ' ' ILE . 20.9 m120 -62.88 -43.24 99.33 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.37 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.16 -48.88 69.31 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.296 -0.878 . . . . 0.0 108.888 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 127' ' ' LEU . 57.7 m -61.65 -44.41 97.02 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.002 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.0 -38.1 89.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.358 -0.839 . . . . 0.0 109.443 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -62.77 -47.08 85.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 109.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 45.4 tp -67.36 -45.06 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.16 -0.963 . . . . 0.0 108.555 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.884 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 27.6 t80 -63.58 -39.55 94.67 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.594 -0.691 . . . . 0.0 109.468 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.503 ' HA ' HD23 ' B' ' 150' ' ' LEU . 59.6 t-20 -62.39 -41.3 98.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.547 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.99 -39.45 93.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 110.027 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.504 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.9 mmtm -62.7 -44.9 95.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.101 -1.0 . . . . 0.0 110.093 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.958 HD12 HD21 ' B' ' 150' ' ' LEU . 23.9 mt -67.99 -35.79 78.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.938 -1.101 . . . . 0.0 108.545 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.0 tttp -59.59 -42.11 91.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.7 mt-30 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 157' ' ' TYR . 4.4 tp -57.93 -33.86 69.26 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 57.7 tttt -59.35 -45.03 92.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.758 -0.588 . . . . 0.0 110.223 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 66.0 m-20 -161.98 -1.42 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.169 -0.957 . . . . 0.0 111.132 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -74.04 158.07 51.76 Favored Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.688 -1.258 . . . . 0.0 110.125 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.4 140.33 69.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.492 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.5 m-90 -106.1 135.46 47.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.825 . . . . 0.0 109.299 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -157.25 172.31 18.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.089 -1.007 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.62 -38.2 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.679 -0.638 . . . . 0.0 109.433 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -54.78 -42.62 71.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.971 -1.081 . . . . 0.0 108.903 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.8 tp -62.31 -36.81 83.3 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.273 -0.892 . . . . 0.0 109.042 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.522 ' HZ1' ' HB2' ' B' ' 182' ' ' ASP . 40.0 tttt -59.09 -47.31 85.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.49 -0.756 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -65.45 -39.51 92.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.447 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.5 p -66.75 -35.28 79.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 109.877 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.6 mt -64.31 -41.21 96.94 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.2 -0.938 . . . . 0.0 109.396 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.828 ' NE1' HD21 ' A' ' 158' ' ' LEU . 37.7 m95 -61.94 -36.89 82.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -0.912 . . . . 0.0 108.655 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.461 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.49 -40.65 89.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.538 -0.726 . . . . 0.0 109.312 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 79.8 m -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.08 -42.12 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 109.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 97' ' ' THR . 74.4 mt -62.3 -40.43 96.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.329 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 151' ' ' ILE . 31.0 m-85 -65.31 -43.11 92.11 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 0.0 110.379 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.3 p -65.24 -31.15 72.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.03 -1.044 . . . . 0.0 109.822 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.97 76.76 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.757 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.402 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.7 mt -59.41 -43.25 89.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 110.28 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.775 HD22 HG23 ' A' ' 144' ' ' THR . 81.4 mt -68.02 -44.79 75.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 110.225 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.582 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -68.0 -45.85 72.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.454 -0.779 . . . . 0.0 111.265 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.5 mt -61.4 -32.09 72.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.315 -0.866 . . . . 0.0 111.758 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -136.77 57.22 1.77 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.842 -1.161 . . . . 0.0 111.1 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.96 -38.93 93.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.972 -1.08 . . . . 0.0 109.295 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.57 -29.25 68.56 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.553 -0.717 . . . . 0.0 111.434 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -91.78 0.67 57.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.678 -1.264 . . . . 0.0 110.502 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.3 mt -118.66 125.92 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.305 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.5 m -70.97 160.24 33.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.364 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.34 -38.87 92.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.209 -0.932 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.7 m -65.79 -44.7 84.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 0.0 109.385 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.38 -38.62 90.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.775 HG23 HD22 ' A' ' 132' ' ' LEU . 46.6 m -61.41 -39.03 89.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.316 -0.865 . . . . 0.0 109.298 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -57.48 -40.02 77.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.7 m -61.39 -41.53 97.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 132' ' ' LEU . 82.2 mt -66.47 -41.17 89.42 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.365 -0.835 . . . . 0.0 109.453 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.04 -36.05 78.53 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.423 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.418 ' HZ1' ' CD ' ' B' ' 162' ' ' GLU . 45.1 tttp -61.38 -41.34 96.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.246 -0.909 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.555 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 67.1 mtt85 -61.53 -42.15 98.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.008 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.9 mt -65.11 -39.87 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 3.2 mmtt -60.76 -42.48 97.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.568 -0.708 . . . . 0.0 109.559 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.617 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 46.5 t80 -57.27 -43.41 83.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -64.86 -43.4 93.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -58.6 -43.96 89.71 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.364 -0.835 . . . . 0.0 109.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.4 ' O ' ' OG ' ' A' ' 159' ' ' SER . 92.7 mt -69.73 -50.41 49.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.124 -0.985 . . . . 0.0 110.768 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.6 m-85 -66.82 -35.87 81.06 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 110.575 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.828 HD21 ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -60.28 -36.36 77.67 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.054 -1.028 . . . . 0.0 108.253 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 85.3 p -69.43 -43.03 74.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.464 -0.772 . . . . 0.0 109.905 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 166' ' ' ILE . 8.1 mtpm? -63.01 -37.75 88.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.353 -0.842 . . . . 0.0 109.581 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.51 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.2 mt -63.49 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.588 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.81 -31.28 70.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.422 -0.798 . . . . 0.0 110.73 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -86.3 -2.03 58.03 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.884 -1.135 . . . . 0.0 110.111 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.15 79.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -74.4 -28.52 61.12 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.202 -1.175 . . . . 0.0 109.229 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.646 HD11 ' NZ ' ' A' ' 160' ' ' LYS . 22.7 mm -107.83 133.45 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.349 -0.844 . . . . 0.0 109.08 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.492 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.179 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.577 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.5 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.448 ' N ' HG22 ' B' ' 128' ' ' ILE . 78.9 m-20 -75.36 20.21 0.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.615 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.26 -41.71 92.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.574 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -70.49 -42.8 70.89 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.545 -0.862 . . . . 0.0 108.904 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.6 -42.75 77.73 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.536 0.684 . . . . 0.0 109.796 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.26 -47.75 78.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 110.01 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.855 HE22 HD12 ' A' ' 22' ' ' ILE . 7.6 mm100 -74.07 -40.59 62.66 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.784 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.428 ' OD2' ' OE1' ' B' ' 137' ' ' GLN . 51.0 t0 -148.79 110.67 4.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.904 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.484 ' O ' ' C ' ' B' ' 137' ' ' GLN . 64.9 mtt -59.48 -32.87 70.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 109.713 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 136' ' ' MET . 95.2 mt-30 -34.21 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.692 -0.63 . . . . 0.0 110.777 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' B' ' 139' ' ' GLU . 43.3 t0 -172.8 -162.39 0.18 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.019 -1.051 . . . . 0.0 110.025 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' B' ' 138' ' ' ASP . 95.9 mt-10 -54.21 150.46 8.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.301 -0.875 . . . . 0.0 110.307 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.2 mtp -57.68 -45.0 86.2 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.839 0.828 . . . . 0.0 109.788 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.52 -33.72 75.47 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.125 -0.984 . . . . 0.0 108.586 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.7 -36.38 76.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.443 HD22 ' OE1' ' B' ' 137' ' ' GLN . 26.3 mt -57.24 -34.6 68.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' ILE . . . . . 0.475 ' CG1' HD21 ' A' ' 95' ' ' ASN . 55.4 mt -67.62 -31.11 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.492 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.21 -37.59 69.86 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -59.22 -36.02 74.68 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.66 85.05 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.85 -39.12 71.0 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.976 -1.308 . . . . 0.0 107.643 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.0 tt0 -59.17 -33.4 70.88 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.958 HD21 HD12 ' A' ' 105' ' ' LEU . 1.6 tm? -54.55 -45.8 73.53 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.75 -40.65 93.21 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 108.998 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.553 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.1 tm-20 -63.0 -40.18 96.98 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.384 -0.822 . . . . 0.0 109.748 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.68 -50.2 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 110.415 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.617 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.53 -33.19 75.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.14 -0.975 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.43 96.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.555 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -64.19 -36.96 85.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.028 -1.045 . . . . 0.0 109.717 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.7 t-20 -60.37 -39.45 87.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.264 -0.897 . . . . 0.0 109.683 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.1 m120 163.38 108.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.396 -0.815 . . . . 0.0 109.134 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -58.28 -35.75 72.25 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.117 -0.99 . . . . 0.0 109.103 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.9 p -82.21 0.61 40.35 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -75.95 101.92 1.5 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 162' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' B' ' 163' ' ' LEU . 1.2 tm-20 -124.02 173.21 8.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.478 -1.013 . . . . 0.0 109.543 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.561 ' H ' ' CD ' ' B' ' 162' ' ' GLU . 6.8 mp -60.11 -36.2 76.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.183 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.98 -33.58 72.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.814 . . . . 0.0 109.579 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.66 -20.6 58.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 34.1 mt -102.83 134.14 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.4 p -58.5 70.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.406 -0.809 . . . . 0.0 110.488 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.0 t0 -64.1 -37.81 88.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.147 -0.971 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.14 -49.25 75.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.034 . . . . 0.0 111.346 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 170' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.54 -43.58 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.901 -1.124 . . . . 0.0 109.579 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.1 -38.42 88.81 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.694 -0.628 . . . . 0.0 110.575 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 92.0 m-20 -61.68 -42.91 99.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.09 -1.006 . . . . 0.0 110.345 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.062 -1.024 . . . . 0.0 109.723 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 174' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.4 mt-10 -65.39 -38.39 89.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 110.419 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 0.488 HD21 HD23 ' A' ' 158' ' ' LEU . 18.5 tp -67.13 -34.87 78.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.904 -1.123 . . . . 0.0 110.51 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 176' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 28.3 m-20 -61.87 -36.85 82.48 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 108.64 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.47 68.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 108.565 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.1 mt -65.16 -36.7 85.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.509 -0.745 . . . . 0.0 110.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -62.64 -38.36 89.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.081 -1.012 . . . . 0.0 110.004 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 180' ' ' GLN . . . . . 0.45 ' O ' HD21 ' B' ' 185' ' ' LEU . 57.8 tt0 -61.89 -42.5 99.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 0.0 110.24 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' B' ' 182' ' ' ASP . 2.9 pp20? -85.83 -33.42 21.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.183 -0.948 . . . . 0.0 110.036 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.551 ' N ' ' CD ' ' B' ' 181' ' ' GLU . 47.0 t0 -64.16 -33.73 76.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.0 108.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.56 173.42 10.19 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.77 123.64 49.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.499 -0.751 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.842 HD22 ' N ' ' B' ' 185' ' ' LEU . 2.3 mm? -91.24 137.57 26.18 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.369 -0.832 . . . . 0.0 108.845 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo . . . . . 0 N--CA 1.492 1.41 0 C-N-CA 122.156 1.904 . . . . 0.0 112.245 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.9 79.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -0.932 . . . . 0.0 109.522 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -61.17 -33.08 72.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.149 -0.97 . . . . 0.0 109.372 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 8' ' ' VAL . 20.0 t-20 -60.7 -38.58 85.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.274 -0.892 . . . . 0.0 109.209 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.592 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.15 -39.69 93.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.456 -0.777 . . . . 0.0 109.534 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.54 89.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.03 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -59.87 -40.59 89.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 94.1 t -60.53 -39.91 82.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.11 -46.33 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 108.924 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.63 79.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 108.671 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -61.2 -38.77 87.75 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 108.736 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -60.44 -31.34 70.32 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.372 -0.83 . . . . 0.0 108.991 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -60.76 -39.96 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 23' ' ' ILE . 65.1 m-85 -63.45 -39.75 95.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.0 109.646 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.104 -0.998 . . . . 0.0 108.918 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -60.75 -33.63 73.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.424 -0.798 . . . . 0.0 109.162 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.08 -6.42 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.839 . . . . 0.0 109.922 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 5.4 62.86 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.999 -1.096 . . . . 0.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 20' ' ' LEU . 47.1 mt -94.25 57.72 2.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.321 . . . . 0.0 109.433 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.46 -32.21 68.12 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.82 -43.22 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.248 . . . . 0.0 109.507 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.5 mm -67.37 -46.71 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.999 -1.063 . . . . 0.0 108.86 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.58 79.37 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 76.7 t80 -58.78 -50.16 74.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -1.087 . . . . 0.0 109.77 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 48.8 m-85 -67.67 -36.16 80.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.251 -0.906 . . . . 0.0 110.198 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.1 mt -63.06 -42.3 99.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.038 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -61.03 -39.45 89.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 108.384 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -38.7 91.95 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE1' HD11 ' A' ' 34' ' ' LEU . 58.0 t80 -63.36 -44.37 95.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.55 84.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.176 -0.953 . . . . 0.0 110.191 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.34 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 110.179 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.591 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -65.52 -32.14 73.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.781 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.52 -46.05 91.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 109.735 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.76 -42.32 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 36' ' ' LEU . 88.4 mt -63.4 -36.86 85.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.421 -0.8 . . . . 0.0 109.741 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -68.16 -11.05 58.52 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.98 123.63 35.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.78 -36.43 80.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -89.79 125.89 35.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.985 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -138.7 122.85 18.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -80.79 163.92 23.11 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -55.05 -36.46 65.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.898 -1.126 . . . . 0.0 108.631 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.98 -43.88 74.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 0.0 109.699 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -66.36 -40.06 89.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.572 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 m -63.39 -44.04 95.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.333 -0.854 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.85 -34.29 75.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.519 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.38 -40.91 98.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.631 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.8 91.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.95 -45.87 92.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 110.437 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.89 -38.12 78.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.875 . . . . 0.0 109.828 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.79 -37.72 88.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.47 -39.23 79.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.002 -1.061 . . . . 0.0 109.322 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.43 -42.5 99.5 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.365 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -65.39 -44.67 86.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -51.49 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 0.0 109.229 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -37.35 83.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.55 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.25 85.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.0 t80 -66.09 -48.4 71.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.832 . . . . 0.0 109.577 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 64' ' ' GLY . 36.9 tttt -62.57 -35.35 79.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.539 -0.725 . . . . 0.0 109.318 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.96 -34.75 78.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.21 -31.81 70.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.364 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.752 HG22 ' O ' ' A' ' 63' ' ' ILE . 5.0 mt -122.87 11.89 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.62 -0.675 . . . . 0.0 109.808 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.16 -37.26 46.19 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.01 66.31 Favored Glycine 0 N--CA 1.488 2.131 0 O-C-N 121.166 -1.196 . . . . 0.0 110.197 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.47 -38.16 76.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.763 -1.433 . . . . 0.0 108.945 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -28.68 1.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.53 -31.93 73.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -61.54 -35.74 78.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.349 -0.844 . . . . 0.0 109.259 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.13 -37.65 77.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 108.974 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.78 -40.81 89.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.77 -61.11 1.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.775 . . . . 0.0 108.979 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 67.0 -18.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.576 -0.702 . . . . 0.0 109.87 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' A' ' 72' ' ' SER . 52.2 mttm -93.17 -80.74 0.37 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.334 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.8 p -67.89 -35.85 79.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 110.217 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 76' ' ' LEU . 36.5 tp -65.59 -36.27 83.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.863 -1.148 . . . . 0.0 109.53 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.441 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.4 t60 -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.142 -0.974 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.64 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.66 -40.85 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 108.599 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.438 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.0 ttt -58.3 -36.5 73.44 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.35 -32.43 71.26 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.338 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.592 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 23.2 m -56.97 -37.31 71.41 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 69.5 mt -60.54 -40.39 91.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.532 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 63' ' ' ILE . 56.1 mt -86.22 -45.32 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.157 -0.964 . . . . 0.0 111.527 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.425 ' O ' ' OE1' ' A' ' 86' ' ' GLN . 76.5 m80 -76.11 -47.83 22.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 111.34 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -81.94 102.41 10.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.808 -1.183 . . . . 0.0 109.715 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 86' ' ' GLN . 4.0 mp0 -63.66 -35.16 79.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.407 -0.808 . . . . 0.0 109.861 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.32 -47.11 87.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.262 -0.899 . . . . 0.0 109.962 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' B' ' 130' ' ' ILE . 45.0 tptt -64.29 -43.26 95.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.142 -0.974 . . . . 0.0 109.046 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.2 -37.92 89.21 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -45.18 73.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.748 . . . . 0.0 109.61 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.34 -44.17 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.161 -0.962 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 44.5 t80 -63.81 -45.04 91.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.258 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 108.902 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.33 -41.19 98.35 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' B' ' 140' ' ' MET . 92.1 m-20 -62.9 -41.02 99.28 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.429 -0.794 . . . . 0.0 109.754 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.31 -48.94 71.34 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.911 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.2 m -63.69 -46.02 87.4 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.421 -0.8 . . . . 0.0 109.138 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 92.3 mmm -63.21 -40.07 96.44 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.185 -0.947 . . . . 0.0 109.551 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -63.69 -46.92 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.01 -42.56 80.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.194 -0.941 . . . . 0.0 108.627 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.725 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.9 t80 -60.78 -41.21 95.08 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.068 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.95 -40.55 95.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.876 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.91 -40.08 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.714 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.419 ' HZ2' ' HA ' ' A' ' 104' ' ' LYS . 4.8 mmtm -63.43 -45.45 90.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.982 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 101' ' ' TYR . 52.7 mt -69.01 -36.15 77.47 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 33.8 tttp -60.26 -45.95 91.5 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.577 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.8 mt-30 -64.09 -36.73 84.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.0 tp -58.88 -32.73 69.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 69.4 tttt -59.13 -39.58 82.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.678 -0.639 . . . . 0.0 110.126 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.23 -22.81 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.264 -0.897 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.48 156.8 3.17 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.56 141.26 85.57 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.838 2.359 . . . . 0.0 112.579 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.8 m-90 -106.08 137.03 44.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -153.89 172.95 16.6 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.971 -1.081 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.35 -39.92 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.329 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -57.28 -42.4 81.59 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.013 -1.054 . . . . 0.0 108.64 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.577 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.7 tp -62.3 -36.89 83.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.457 -0.777 . . . . 0.0 108.925 178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.8 tttt -56.69 -47.34 80.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.485 -0.759 . . . . 0.0 109.857 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -66.43 -36.22 82.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.518 -0.739 . . . . 0.0 109.563 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -60.95 -40.54 93.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 110.299 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.73 -39.44 94.07 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.022 -1.049 . . . . 0.0 108.779 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.914 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.2 m95 -63.41 -39.18 93.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -42.37 96.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.751 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.31 -40.16 93.15 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.271 -0.893 . . . . 0.0 109.701 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.0 110.081 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.23 -42.38 96.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.044 -1.035 . . . . 0.0 110.064 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.58 -39.61 94.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 110.179 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 151' ' ' ILE . 14.5 m-85 -64.32 -43.95 93.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.977 . . . . 0.0 110.179 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -62.03 -36.99 83.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 87.5 m -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.97 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.8 mt -59.03 -43.82 89.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.104 -0.997 . . . . 0.0 110.253 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 147' ' ' LEU . 80.5 mt -69.47 -45.32 69.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.591 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -67.12 -45.68 76.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.827 . . . . 0.0 110.928 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 134' ' ' LEU . 93.2 mt -62.18 -30.54 71.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 111.637 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -137.57 55.28 1.8 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 111.482 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -62.49 -37.85 87.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.123 . . . . 0.0 109.341 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.01 -29.66 68.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.553 -0.717 . . . . 0.0 111.339 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -91.87 0.83 57.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.744 -1.223 . . . . 0.0 110.426 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.06 126.32 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.332 -0.855 . . . . 0.0 109.276 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.86 160.0 33.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.0 109.436 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -65.01 -38.3 90.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.182 -0.949 . . . . 0.0 109.398 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.0 m -64.79 -45.4 86.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.9 p -65.96 -34.15 77.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.234 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.604 HG23 HD22 ' A' ' 132' ' ' LEU . 47.6 m -63.6 -40.69 97.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.82 . . . . 0.0 109.322 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.17 -39.11 78.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.87 -41.92 98.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 132' ' ' LEU . 89.6 mt -67.08 -41.24 86.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.396 -0.815 . . . . 0.0 109.73 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.03 -37.0 81.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 109.337 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.17 -40.39 95.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.852 . . . . 0.0 108.852 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.6 mtt180 -61.39 -42.09 98.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 108.917 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.4 mt -64.98 -43.04 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.586 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.7 mmtt -61.13 -38.72 87.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.658 -0.651 . . . . 0.0 109.579 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.844 ' OH ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -57.91 -43.8 86.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.96 -40.28 91.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 108.677 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.0 -43.71 91.54 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 0.0 109.485 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.484 ' CG2' HG21 ' B' ' 166' ' ' ILE . 86.2 mt -69.32 -49.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.893 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.278 -0.889 . . . . 0.0 110.841 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 1.074 HD23 HD11 ' B' ' 175' ' ' LEU . 31.5 tp -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.627 ' HB2' HD23 ' B' ' 175' ' ' LEU . 37.3 t -65.07 -45.44 85.29 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.627 -0.67 . . . . 0.0 110.116 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -60.43 -38.58 84.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.447 -0.783 . . . . 0.0 110.105 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.434 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.8 mt -60.03 -35.67 75.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 0.0 108.968 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -29.4 69.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.341 -0.85 . . . . 0.0 109.886 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -78.67 -16.02 57.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.129 -0.982 . . . . 0.0 109.289 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.33 78.15 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.64 -28.84 61.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.535 -0.979 . . . . 0.0 109.816 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.434 ' HB ' HD23 ' A' ' 161' ' ' LEU . 17.2 mm -102.11 130.8 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 109.015 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.608 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ILE . . . . . 0.493 HG22 ' OD1' ' B' ' 129' ' ' ASN . 76.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ASN . . . . . 0.493 ' OD1' HG22 ' B' ' 128' ' ' ILE . 37.9 m-20 -78.0 20.24 0.38 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ILE . . . . . 0.64 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -65.07 -41.86 93.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -71.69 -41.76 68.26 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -66.8 -46.75 74.23 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.64 0.733 . . . . 0.0 109.38 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.43 -44.18 92.0 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.719 0.771 . . . . 0.0 109.004 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' GLN . . . . . 0.502 ' CG ' ' CE1' ' A' ' 92' ' ' TYR . 3.2 tp60 -61.68 -41.08 97.07 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' B' ' 136' ' ' MET . 49.7 t0 -173.92 162.49 3.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.331 -0.856 . . . . 0.0 109.585 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' MET . . . . . 0.448 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.9 mtt -58.06 -29.07 65.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.907 . . . . 0.0 108.804 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' GLN . . . . . 0.984 ' NE2' HD11 ' B' ' 143' ' ' LEU . 88.2 mt-30 -41.29 138.16 1.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.583 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.52 -46.92 80.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -147.07 149.62 33.43 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.752 -1.217 . . . . 0.0 110.582 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' MET . . . . . 0.58 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.9 mtp -63.23 -41.35 99.09 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 122.075 0.941 . . . . 0.0 109.515 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.68 -32.59 69.26 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 108.507 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.92 -34.44 71.72 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.332 -0.855 . . . . 0.0 108.814 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' LEU . . . . . 0.984 HD11 ' NE2' ' B' ' 137' ' ' GLN . 2.6 mm? -60.34 -34.38 73.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 108.578 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.55 -32.28 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.025 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.5 -38.92 78.65 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -59.7 -35.81 75.27 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.48 84.98 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.81 -39.68 71.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.27 . . . . 0.0 107.8 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.4 tt0 -61.65 -33.39 73.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 150' ' ' LEU . . . . . 0.71 ' O ' HD23 ' B' ' 150' ' ' LEU . 5.8 tt -54.93 -43.35 73.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.58 -40.72 97.79 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.392 -0.817 . . . . 0.0 108.912 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' GLU . . . . . 0.554 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.0 tm-20 -62.68 -39.16 93.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.489 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.17 -50.52 76.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.354 -0.841 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' LEU . . . . . 0.844 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.75 -33.27 75.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.154 -0.966 . . . . 0.0 109.081 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.3 93.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.8 mtp -63.92 -38.97 93.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.074 -1.016 . . . . 0.0 109.478 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 157' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.5 t-20 -60.75 -38.68 85.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.396 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 158' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 5.0 m-20 166.48 107.17 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.46 -0.775 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.07 -35.01 70.75 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.098 -1.002 . . . . 0.0 108.787 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 51.7 p -83.5 0.71 45.24 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.59 98.32 0.07 OUTLIER Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -119.97 154.66 34.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.975 . . . . 0.0 109.177 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' LEU . . . . . 0.665 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -54.61 -32.89 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.288 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.28 -33.1 70.65 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.277 -0.889 . . . . 0.0 109.434 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.31 -24.5 57.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 109.553 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 166' ' ' ILE . . . . . 0.601 ' O ' ' N ' ' B' ' 168' ' ' ASP . 38.1 mt -101.21 132.68 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.15 -0.969 . . . . 0.0 108.565 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -58.5 70.25 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.412 -0.805 . . . . 0.0 110.357 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 168' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.6 t0 -60.87 -36.9 80.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.058 -1.026 . . . . 0.0 111.017 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.63 72.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.0 111.893 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -43.57 65.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.674 -1.266 . . . . 0.0 109.785 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.85 -38.22 89.95 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 110.146 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 172' ' ' ASP . . . . . 0.586 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 94.1 m-20 -61.01 -41.17 96.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 110.593 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.92 92.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.092 -1.005 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.42 -35.9 82.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.155 -0.966 . . . . 0.0 109.972 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' LEU . . . . . 1.074 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.89 -42.56 99.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 110.574 -179.263 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.58 -40.25 96.47 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.992 -1.067 . . . . 0.0 109.729 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.61 71.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.06 -1.025 . . . . 0.0 108.986 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.3 -32.22 73.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.879 . . . . 0.0 109.409 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 179' ' ' ALA . . . . . 0.457 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.11 -44.32 83.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.34 -39.3 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.837 . . . . 0.0 109.067 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' GLU . . . . . 0.481 ' OE1' ' OD1' ' B' ' 182' ' ' ASP . 3.8 tm-20 -72.95 -42.67 63.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 182' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 67.9 m-20 -70.39 -34.54 72.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.56 -0.713 . . . . 0.0 110.183 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.5 173.43 8.34 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.421 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 184' ' ' THR . . . . . 0.458 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.35 119.23 38.83 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.486 -0.759 . . . . 0.0 109.053 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 185' ' ' LEU . . . . . 0.756 HD22 ' N ' ' B' ' 185' ' ' LEU . 3.0 mm? -91.34 138.29 25.66 Favored Pre-proline 0 C--N 1.301 -1.528 0 O-C-N 121.392 -0.818 . . . . 0.0 109.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 N--CA 1.491 1.369 0 C-N-CA 122.217 1.944 . . . . 0.0 112.205 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -37.77 82.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.896 . . . . 0.0 109.341 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.893 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.58 -40.26 96.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.855 . . . . 0.0 109.256 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.278 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -59.96 -44.34 94.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.344 -0.848 . . . . 0.0 109.19 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.58 -42.89 95.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.46 -46.11 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.0 109.48 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.92 85.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 108.964 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -61.84 -39.47 91.94 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.44 -0.787 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 109.043 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.42 -33.04 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.409 -0.807 . . . . 0.0 109.475 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.0 -42.72 98.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 23' ' ' ILE . 82.4 m-85 -64.12 -37.43 87.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.273 -0.892 . . . . 0.0 109.719 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.0 -42.32 98.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.06 -1.025 . . . . 0.0 108.874 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.25 -30.83 70.69 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.25 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.521 -0.737 . . . . 0.0 109.77 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.07 4.88 62.79 Favored Glycine 0 N--CA 1.493 2.452 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.441 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' H ' HG12 ' A' ' 18' ' ' VAL . 81.6 mt -96.9 62.33 1.87 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.263 . . . . 0.0 109.135 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.95 -32.87 76.5 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 ' CE ' ' A' ' 79' ' ' MET . 76.9 mt -57.48 -43.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.995 -1.297 . . . . 0.0 109.634 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG21 ' CE1' ' A' ' 15' ' ' PHE . 34.0 mm -67.02 -49.12 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.03 -1.044 . . . . 0.0 108.824 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.35 79.94 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 80.2 t80 -58.59 -48.63 80.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.417 -1.049 . . . . 0.0 109.959 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.1 m-85 -67.57 -36.56 81.16 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.146 -0.971 . . . . 0.0 110.286 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.46 -41.61 98.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 0.0 109.951 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.33 -39.74 94.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.123 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.24 -39.54 92.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.403 -0.81 . . . . 0.0 109.45 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.5 t80 -63.38 -45.66 90.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.398 -0.814 . . . . 0.0 110.042 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.53 81.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.045 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.86 -51.15 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 110.002 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -67.01 -30.41 70.5 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.893 HD23 ' HB2' ' A' ' 5' ' ' ALA . 5.6 tp -60.44 -44.39 95.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.239 0.543 . . . . 0.0 109.555 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.07 -44.75 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 109.329 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -37.45 87.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.476 -0.765 . . . . 0.0 109.795 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -77.0 1.3 18.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.468 -0.77 . . . . 0.0 109.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -93.5 126.27 38.56 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.176 -0.953 . . . . 0.0 109.246 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.0 -36.29 81.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.0 109.862 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.87 125.67 38.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 110.077 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -137.54 142.57 41.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.372 -0.83 . . . . 0.0 109.568 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.21 162.64 16.29 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -53.58 -35.4 60.78 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.913 -1.117 . . . . 0.0 108.716 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.54 -43.04 73.78 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.304 -0.873 . . . . 0.0 109.931 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.1 mtp -70.44 -41.33 72.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.823 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -62.87 -44.28 96.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 0.0 109.453 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.95 73.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.349 -0.845 . . . . 0.0 109.694 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.21 -39.34 92.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.717 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.29 95.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.0 109.466 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.8 -45.99 92.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 110.352 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.22 -37.62 77.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.621 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.26 -37.87 88.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.58 -39.66 80.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.966 -1.084 . . . . 0.0 109.365 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.01 -42.21 98.91 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.424 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.8 m -65.15 -45.96 82.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.331 -0.855 . . . . 0.0 109.917 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.31 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.308 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.31 -39.16 93.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.59 88.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.236 -0.915 . . . . 0.0 109.007 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.5 t80 -67.61 -48.84 65.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.419 -0.801 . . . . 0.0 109.765 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 50.8 tttt -63.51 -39.81 95.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.0 109.176 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -63.01 -33.81 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -31.28 68.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.528 -0.733 . . . . 0.0 109.241 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.678 ' O ' HG22 ' A' ' 63' ' ' ILE . 77.3 mt -124.16 9.53 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.542 -0.723 . . . . 0.0 109.892 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.17 -37.62 64.73 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.42 1.38 64.36 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.17 -37.86 75.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.298 . . . . 0.0 109.056 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -134.86 -29.33 1.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.17 -30.78 71.86 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.65 81.18 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.02 -43.65 82.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 108.361 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.98 -39.43 93.46 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -161.41 96.91 1.08 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.19 6.79 48.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 109.604 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -94.59 -75.05 0.52 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.208 -0.932 . . . . 0.0 109.899 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.6 p -66.99 -38.48 86.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.397 -0.814 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.554 HD11 HG23 ' A' ' 63' ' ' ILE . 32.2 tp -67.58 -35.39 78.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.616 -1.302 . . . . 0.0 109.638 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.3 t60 -60.14 -45.12 94.12 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.624 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.06 -42.7 96.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 108.306 179.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.732 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.4 ttt -58.87 -36.71 75.05 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.58 -32.92 71.99 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -56.67 -37.74 71.24 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.2 mt -60.41 -40.75 92.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.541 -0.724 . . . . 0.0 109.67 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 25' ' ' TYR . 83.0 mt -85.97 -45.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 111.294 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.4 m-70 -72.84 -46.52 52.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 111.097 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -81.29 100.88 9.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.868 -1.145 . . . . 0.0 109.416 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.42 -37.07 86.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 0.0 110.277 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.5 tt0 -62.81 -47.46 83.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 110.343 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -65.78 -41.88 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.381 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.28 -37.81 88.7 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.388 -0.82 . . . . 0.0 108.91 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -44.86 68.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.469 -0.769 . . . . 0.0 109.597 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.62 -45.9 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 0.0 109.884 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -64.17 -43.61 94.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.095 -1.003 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.35 -41.63 98.75 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.229 -0.919 . . . . 0.0 108.674 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.2 tp -65.68 -42.28 91.45 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.2 m120 -62.61 -41.63 99.1 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.422 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -65.67 -49.23 69.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.971 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.525 ' OG1' HD11 ' A' ' 131' ' ' ILE . 54.2 m -63.3 -44.96 93.54 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.384 -0.823 . . . . 0.0 109.141 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.7 mmm -63.74 -38.14 90.01 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.305 -0.872 . . . . 0.0 109.628 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.0 m -62.18 -46.26 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.93 -46.73 73.87 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -60.44 -42.5 96.25 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.685 -0.634 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' B' ' 150' ' ' LEU . 55.1 t-20 -60.13 -39.3 85.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.47 -40.02 96.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 110.094 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 121' ' ' LEU . 47.9 mmtt -62.76 -45.09 94.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.093 -1.005 . . . . 0.0 109.888 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.989 HD22 HD11 ' B' ' 150' ' ' LEU . 11.0 mp -67.29 -36.58 81.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.019 -1.05 . . . . 0.0 108.849 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.2 tttp -60.89 -44.99 96.35 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.6 mt-30 -62.3 -36.65 82.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -57.75 -32.52 67.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -59.22 -41.89 89.7 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.741 -0.599 . . . . 0.0 109.921 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.2 m-20 -167.46 -5.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.917 . . . . 0.0 111.048 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -65.37 156.67 48.11 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.95 137.48 62.7 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.782 2.321 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.438 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.03 135.1 48.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 109.087 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.02 172.68 17.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.02 -1.05 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.56 -38.8 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.71 -0.619 . . . . 0.0 109.46 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.63 -42.49 75.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 108.792 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.45 -35.96 80.92 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.856 . . . . 0.0 108.975 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 158' ' ' LEU . 78.2 tttt -57.48 -47.22 82.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.46 -0.775 . . . . 0.0 110.042 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -67.04 -39.44 86.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 12.4 m -63.04 -39.51 94.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.0 109.989 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.6 mt -61.84 -41.18 97.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.177 -0.952 . . . . 0.0 109.474 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.864 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.0 m95 -62.26 -37.05 83.95 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.316 -0.865 . . . . 0.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -41.97 92.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.404 -0.81 . . . . 0.0 109.636 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -40.76 96.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.666 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.58 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -56.92 -42.4 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.872 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.18 -40.49 96.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.082 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.09 -40.63 94.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.328 -0.858 . . . . 0.0 110.478 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' A' ' 151' ' ' ILE . 32.4 m-85 -64.3 -44.23 92.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.954 -1.091 . . . . 0.0 110.178 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t -61.83 -36.55 81.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 0.0 109.683 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.58 -43.06 85.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.892 . . . . 0.0 109.787 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.579 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 110.202 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.868 HD21 HD12 ' A' ' 147' ' ' LEU . 88.6 mt -68.46 -45.13 73.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.056 -1.027 . . . . 0.0 110.192 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.475 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 16.9 t60 -67.32 -42.94 82.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.276 -0.89 . . . . 0.0 111.035 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 134' ' ' LEU . 86.7 mt -61.12 -31.9 71.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 111.594 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -140.47 57.13 1.59 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.759 -1.213 . . . . 0.0 111.296 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.69 -37.56 84.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.826 -1.172 . . . . 0.0 109.061 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.27 -28.57 68.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.495 -0.753 . . . . 0.0 111.058 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.442 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.7 t30 -91.76 -0.62 57.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.843 -1.16 . . . . 0.0 110.282 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.93 125.9 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.39 -0.819 . . . . 0.0 109.158 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 159.91 33.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -40.54 97.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.343 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.3 m -64.92 -44.5 89.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 109.4 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 m -62.56 -38.82 91.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.323 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.699 HG23 HD22 ' A' ' 132' ' ' LEU . 47.5 m -61.67 -39.51 91.66 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.372 -0.83 . . . . 0.0 109.431 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.89 -38.55 75.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.862 . . . . 0.0 109.675 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.487 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.0 m -61.84 -41.62 98.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 0.0 109.214 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.868 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -66.58 -41.23 88.88 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.369 -0.832 . . . . 0.0 109.521 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.93 -36.66 79.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.471 -0.768 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 18.7 tttp -61.78 -41.8 98.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 109.074 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.487 ' NH1' ' O ' ' A' ' 146' ' ' SER . 66.7 mtt85 -62.05 -41.82 98.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 108.977 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 128' ' ' PHE . 83.5 mt -65.38 -43.03 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.587 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.1 mmtt -61.22 -40.49 94.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.651 -0.656 . . . . 0.0 109.699 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.681 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 47.3 t80 -57.32 -43.6 83.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.395 -0.816 . . . . 0.0 108.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.1 m -65.3 -40.8 94.25 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.292 -0.88 . . . . 0.0 108.831 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.352 -0.843 . . . . 0.0 109.618 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.74 -50.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.425 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.8 m-85 -66.81 -35.64 80.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 110.495 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.864 HD21 ' NE1' ' A' ' 122' ' ' TRP . 38.8 tp -59.64 -38.76 82.26 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.009 -1.057 . . . . 0.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.8 t -66.61 -45.01 80.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.248 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.69 -38.46 85.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.575 -0.703 . . . . 0.0 109.364 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.7 mt -64.66 -42.33 95.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.334 -0.854 . . . . 0.0 109.662 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.547 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.43 -25.18 62.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.429 -0.794 . . . . 0.0 109.672 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.4 mtpt -83.16 -3.46 57.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.301 -0.874 . . . . 0.0 109.776 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.75 13.08 83.92 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -74.97 -29.63 60.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.281 -1.129 . . . . 0.0 109.743 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -107.04 133.18 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.228 -0.92 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.979 -1.456 . . . . 0.0 109.55 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.539 ' C ' ' H ' ' B' ' 130' ' ' ILE . 83.6 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.499 ' N ' HG22 ' B' ' 128' ' ' ILE . 14.8 m120 -75.35 19.79 0.17 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -65.22 -41.89 92.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.0 m-20 -74.57 -41.7 60.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.423 ' HD2' HD22 ' B' ' 129' ' ' ASN . 50.6 mttm -66.87 -40.34 87.79 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.499 0.666 . . . . 0.0 109.957 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 110.452 -178.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.484 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 141' ' ' LEU . 92.1 mt -61.87 -34.77 76.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.279 -0.888 . . . . 0.0 108.96 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -60.3 -36.85 78.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.27 -33.65 67.84 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.77 -30.13 47.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.4 -38.16 73.84 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . 0.434 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.8 mt-30 -59.66 -36.17 75.88 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -33.5 84.98 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.47 -38.73 72.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.063 -1.257 . . . . 0.0 107.968 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.6 tt0 -60.4 -34.72 74.33 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 105' ' ' LEU . 6.8 tt -55.79 -42.96 76.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 108.743 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -58.7 -41.43 86.29 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.25 -37.97 87.46 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.448 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.1 t -65.04 -51.1 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.8 mm? -66.94 -33.26 75.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.058 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.37 96.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.847 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.6 mtp -65.17 -39.96 93.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.019 -1.051 . . . . 0.0 109.492 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.03 -39.18 88.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 0.0 109.359 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 1.0 OUTLIER 170.27 106.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.468 -0.77 . . . . 0.0 109.131 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.96 -36.11 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.111 -0.993 . . . . 0.0 108.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -84.58 6.37 24.11 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.77 97.93 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -118.63 152.95 35.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.98 . . . . 0.0 109.142 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.661 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -55.31 -33.41 63.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.398 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.31 -32.6 70.22 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -75.3 -23.01 57.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -0.896 . . . . 0.0 109.621 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.2 mt -101.88 135.51 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 108.896 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 89.1 p -59.77 69.17 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.42 -0.8 . . . . 0.0 110.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.4 t0 -64.58 -38.38 90.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.84 77.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.042 -1.036 . . . . 0.0 111.395 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -43.11 67.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.889 -1.132 . . . . 0.0 109.823 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.16 -38.16 90.07 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.523 -0.736 . . . . 0.0 110.228 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.587 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.1 m-20 -60.64 -43.12 97.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.506 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.74 81.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.975 -1.078 . . . . 0.0 109.849 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.88 -36.74 85.33 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.141 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 158' ' ' LEU . 20.9 tp -66.47 -35.79 81.16 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.941 -1.099 . . . . 0.0 110.693 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 27.6 m-20 -61.45 -37.33 83.17 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 120.945 -1.097 . . . . 0.0 108.505 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.73 73.1 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.547 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.8 mt -66.09 -35.44 80.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.929 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.84 -40.92 73.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.977 -1.077 . . . . 0.0 108.394 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.63 -34.7 76.13 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.546 -0.721 . . . . 0.0 109.116 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.69 -40.41 94.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.493 -0.754 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -93.78 -17.65 22.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.053 -1.03 . . . . 0.0 110.847 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 C--N 1.3 -1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.413 -179.43 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -60.67 -38.47 85.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.189 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.43 -0.794 . . . . 0.0 109.47 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.95 95.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -59.97 -39.3 85.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 108.823 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.38 -42.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.21 -47.33 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.29 83.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 108.786 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -62.41 -38.98 91.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.435 -0.79 . . . . 0.0 109.135 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.04 91.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.888 . . . . 0.0 109.078 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.84 -33.3 73.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 0.0 109.694 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.279 -0.888 . . . . 0.0 109.406 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -63.28 -43.14 98.76 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.953 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.56 -40.8 96.0 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.4 -30.83 71.49 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -87.19 -4.39 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.467 -0.771 . . . . 0.0 109.613 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.39 4.96 62.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -101.55 62.97 0.94 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.105 -1.232 . . . . 0.0 109.394 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.7 92.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.5 mt -57.9 -42.94 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.08 -1.247 . . . . 0.0 109.843 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -65.92 -47.64 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.95 -1.094 . . . . 0.0 108.912 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.91 -32.85 83.47 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 72.5 t80 -58.44 -47.09 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.416 -1.049 . . . . 0.0 109.961 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.466 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 29.7 m-85 -66.37 -34.68 78.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.942 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.12 -36.65 84.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.042 -1.036 . . . . 0.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.58 HE22 HG21 ' A' ' 55' ' ' THR . 94.8 mt-30 -59.68 -41.52 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.976 . . . . 0.0 109.748 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 29' ' ' LEU . 7.0 mp -65.72 -39.63 91.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.97 -1.081 . . . . 0.0 109.117 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 23.2 t80 -64.93 -44.07 90.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 110.318 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.54 87.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.034 -1.041 . . . . 0.0 110.11 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.42 -46.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.458 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.36 -32.24 73.61 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.09 -46.05 92.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.52 -45.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 0.0 109.481 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 36' ' ' LEU . 87.6 mt -64.43 -37.45 87.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.346 -0.846 . . . . 0.0 109.583 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.0 p -68.24 -13.82 62.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -86.79 123.83 32.37 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.479 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.829 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.11 125.72 34.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.0 110.02 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -138.61 143.53 39.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.299 -0.876 . . . . 0.0 109.683 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.13 159.34 20.17 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -52.93 -34.79 56.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.86 -1.15 . . . . 0.0 108.505 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.11 -42.25 72.91 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.296 -0.878 . . . . 0.0 109.908 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.3 mtp -70.37 -41.1 73.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.044 -1.035 . . . . 0.0 109.776 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.1 m -61.92 -42.44 99.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 0.0 109.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -34.23 77.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.369 -0.832 . . . . 0.0 109.793 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 109.601 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.02 88.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 m -62.28 -45.56 92.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 110.416 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.36 -38.1 73.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.731 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.28 -39.65 95.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 mt -58.3 -38.98 78.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.286 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.82 -42.36 98.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.214 -0.929 . . . . 0.0 108.945 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.58 HG21 HE22 ' A' ' 28' ' ' GLN . 81.7 m -64.9 -45.91 83.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.467 -0.771 . . . . 0.0 109.805 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.22 -47.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.507 -0.746 . . . . 0.0 109.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.67 -38.33 90.61 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.055 -1.028 . . . . 0.0 109.054 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -41.42 74.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 108.887 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 64.0 t80 -66.15 -48.93 69.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.42 -0.8 . . . . 0.0 109.642 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.3 tttt -65.51 -41.62 92.99 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.299 -0.876 . . . . 0.0 109.077 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -63.07 -33.77 76.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.51 -31.15 67.63 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.664 ' O ' HG22 ' A' ' 63' ' ' ILE . 78.7 mt -124.24 8.15 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.634 -0.666 . . . . 0.0 109.912 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.25 -37.98 60.68 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 1.43 64.35 Favored Glycine 0 N--CA 1.489 2.213 0 O-C-N 121.199 -1.177 . . . . 0.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.15 -38.7 77.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.894 -1.356 . . . . 0.0 108.95 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -29.14 1.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.16 -30.7 71.8 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.35 81.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.379 -0.826 . . . . 0.0 109.266 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -43.51 81.98 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.35 -39.26 92.12 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -161.29 97.6 1.12 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.87 7.23 46.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.537 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -95.35 -76.05 0.5 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.3 p -67.23 -39.06 86.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.39 -0.818 . . . . 0.0 111.194 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 63' ' ' ILE . 35.8 tp -67.35 -34.97 78.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.551 -1.343 . . . . 0.0 109.619 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.7 t60 -59.96 -45.18 93.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.59 -43.24 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.046 -1.034 . . . . 0.0 108.355 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.714 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.3 ttt -58.77 -36.73 74.88 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.74 -32.76 72.03 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.536 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.589 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 28.0 m -57.01 -37.47 71.75 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.8 mt -60.17 -42.04 94.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.519 -0.738 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.563 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.9 mt -84.09 -45.4 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.937 . . . . 0.0 111.209 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.2 m-70 -72.49 -46.22 55.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 111.214 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.27 99.92 9.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.867 -1.146 . . . . 0.0 109.705 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.1 mp0 -64.46 -36.48 84.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -47.46 83.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.237 -0.915 . . . . 0.0 110.112 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -66.38 -42.84 87.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.0 109.096 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.16 -37.96 89.27 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.12 72.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.37 -45.39 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.222 -0.924 . . . . 0.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.63 -44.82 95.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.89 . . . . 0.0 109.069 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.7 -41.34 99.08 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.36 -39.91 94.68 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.916 ' ND2' HD12 ' B' ' 143' ' ' LEU . 0.9 OUTLIER -62.02 -46.05 90.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.401 -0.812 . . . . 0.0 109.526 179.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.52 -48.1 78.94 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.339 -0.851 . . . . 0.0 109.12 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.654 ' OG1' HD11 ' A' ' 131' ' ' ILE . 38.8 m -63.04 -45.67 91.19 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.394 -0.816 . . . . 0.0 109.167 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.413 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.8 mmm -64.69 -39.4 93.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.192 -0.942 . . . . 0.0 109.415 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.434 ' OG ' ' ND2' ' A' ' 95' ' ' ASN . 21.0 m -62.42 -46.63 87.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.265 -0.897 . . . . 0.0 109.206 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD21 ' SG ' ' A' ' 124' ' ' CYS . 59.0 tp -66.65 -45.12 80.02 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.755 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.67 -41.19 97.21 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.577 -0.702 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.93 -39.91 93.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 110.271 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.46 -40.74 96.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 110.058 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 42.3 mmtt -64.04 -45.28 89.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.028 -1.045 . . . . 0.0 109.569 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TYR . 45.6 mt -67.82 -36.66 80.78 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.59 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 29.8 tttp -61.29 -45.53 94.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.4 -36.61 82.88 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.79 -33.01 68.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.497 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 63.4 tttt -59.24 -41.27 88.36 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.686 -0.634 . . . . 0.0 109.945 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.8 m-20 -167.56 -5.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.171 -0.956 . . . . 0.0 111.225 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.5 157.67 49.85 Favored Glycine 0 N--CA 1.493 2.499 0 O-C-N 120.627 -1.296 . . . . 0.0 110.039 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.45 137.67 61.31 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.779 2.319 . . . . 0.0 112.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.447 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.22 136.33 46.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.23 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -157.3 171.97 19.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.984 . . . . 0.0 110.327 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.56 -38.73 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 59.9 ttp -54.86 -42.54 72.13 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.827 -1.17 . . . . 0.0 108.711 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.29 -35.54 79.35 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.282 -0.887 . . . . 0.0 108.994 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 158' ' ' LEU . 72.7 tttt -57.79 -47.28 83.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -67.09 -39.81 86.85 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.419 -0.8 . . . . 0.0 109.969 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.9 t -63.79 -38.97 93.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.246 -0.909 . . . . 0.0 109.819 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.7 mt -61.46 -41.93 97.98 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.202 -0.936 . . . . 0.0 109.406 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.866 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.9 m95 -62.43 -37.36 85.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 108.845 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.37 92.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.422 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.561 ' SG ' HD21 ' A' ' 100' ' ' LEU . 56.5 m -63.26 -39.88 95.85 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.265 -0.897 . . . . 0.0 109.69 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 90.8 mt -57.96 -42.18 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.907 . . . . 0.0 110.039 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.39 -40.29 90.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 109.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.73 -40.66 95.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.465 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.5 m-85 -64.28 -43.83 93.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.941 -1.1 . . . . 0.0 110.141 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 m -62.17 -36.38 81.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 110.034 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.686 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.88 -42.13 90.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.153 -0.967 . . . . 0.0 109.803 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.7 mt -59.57 -44.54 93.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.09 -1.006 . . . . 0.0 110.047 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 147' ' ' LEU . 93.0 mt -72.04 -44.88 62.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.136 -0.978 . . . . 0.0 110.361 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -67.78 -46.09 73.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 110.972 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.686 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.6 mt -63.82 -32.35 73.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.94 . . . . 0.0 111.411 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -129.57 52.64 1.97 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.022 -1.049 . . . . 0.0 111.035 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -62.47 -38.27 89.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 109.336 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.499 -0.751 . . . . 0.0 111.558 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.94 1.1 57.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.673 -1.267 . . . . 0.0 110.595 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.434 HD13 HD23 ' A' ' 132' ' ' LEU . 79.9 mt -118.29 128.04 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.344 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.2 m -70.74 159.84 33.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.281 -0.887 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.23 -40.25 96.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.6 m -64.63 -44.97 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.0 109.634 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 m -62.62 -38.65 91.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.0 109.438 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.766 HG23 HD22 ' A' ' 132' ' ' LEU . 55.9 m -61.84 -40.18 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.455 -0.778 . . . . 0.0 109.575 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.94 -38.77 76.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 109.904 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.89 -42.54 99.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 132' ' ' LEU . 85.8 mt -67.03 -40.96 87.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.86 -36.94 80.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.533 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.26 -39.82 94.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.076 -1.015 . . . . 0.0 108.916 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.413 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 91.2 mtt180 -61.4 -41.91 97.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 109.124 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.8 mt -64.66 -40.53 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.591 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.3 mmtt -60.8 -40.35 92.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.691 -0.631 . . . . 0.0 109.738 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.661 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.8 t80 -56.69 -43.63 80.66 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.408 -0.807 . . . . 0.0 108.956 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -40.59 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -58.57 -44.0 89.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.64 -50.59 48.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.225 -0.922 . . . . 0.0 110.733 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.9 m-85 -66.61 -35.62 80.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 110.472 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.866 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.9 tp -59.8 -38.13 81.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 108.444 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -67.12 -44.73 79.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -61.28 -38.47 86.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.459 -0.775 . . . . 0.0 109.384 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.5 mt -64.39 -42.13 96.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 109.725 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.601 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.72 -24.63 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.706 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.5 mtpt -83.87 -4.07 58.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.296 -0.877 . . . . 0.0 109.798 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.75 12.39 84.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.91 -29.65 61.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.2 mm -106.92 132.12 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.194 -0.941 . . . . 0.0 109.102 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 CA-C-O 118.029 -1.429 . . . . 0.0 109.575 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.55 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.446 ' N ' HG22 ' B' ' 128' ' ' ILE . 17.0 m120 -75.44 19.92 0.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.66 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.75 -42.48 96.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.558 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.5 m-20 -75.63 -43.18 49.2 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.889 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.432 ' HD2' HD22 ' B' ' 129' ' ' ASN . 80.8 mttt -65.66 -39.36 91.27 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.417 0.627 . . . . 0.0 110.089 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.431 -0.793 . . . . 0.0 110.124 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 84.5 mtp . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.756 0.789 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.568 ' N ' HD22 ' B' ' 141' ' ' LEU . 4.0 mm? -59.69 -33.18 71.25 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.173 -0.954 . . . . 0.0 108.513 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.01 -36.36 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.495 -0.753 . . . . 0.0 108.97 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.916 HD12 ' ND2' ' A' ' 95' ' ' ASN . 3.6 mm? -60.16 -37.85 81.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.089 -1.007 . . . . 0.0 108.673 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.85 -30.08 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.24 -37.53 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.67 -36.29 76.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.6 -32.51 81.65 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -55.94 -39.27 71.46 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.033 -1.275 . . . . 0.0 107.984 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 75.3 tt0 -60.6 -33.97 73.52 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.682 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.1 tt -54.89 -44.51 74.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.53 -39.46 91.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.375 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.557 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 10.8 tm-20 -61.54 -38.38 87.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.779 . . . . 0.0 109.821 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 109' ' ' LYS . 28.9 t -63.25 -50.33 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.076 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.661 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.5 mm? -66.57 -33.15 75.03 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.222 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.11 99.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.323 -0.861 . . . . 0.0 109.665 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.557 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 41.7 mtt -66.63 -38.7 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.945 -1.097 . . . . 0.0 109.699 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.73 -38.85 86.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.22 -0.925 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.681 ' N ' HD22 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 170.86 106.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.508 -0.745 . . . . 0.0 109.03 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.83 -35.91 71.55 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.023 -1.048 . . . . 0.0 109.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.6 p -84.13 3.37 35.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.95 97.9 0.07 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -121.97 153.45 38.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.93 . . . . 0.0 109.018 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.707 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.6 mp -55.32 -33.65 63.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 109.48 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.41 -32.33 70.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.24 -0.913 . . . . 0.0 109.599 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.27 -23.62 57.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.354 -0.841 . . . . 0.0 109.791 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 35.9 mt -102.6 134.29 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.943 . . . . 0.0 108.85 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 71.4 m -58.61 71.94 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.482 -0.761 . . . . 0.0 110.226 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.9 t0 -64.9 -39.07 92.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.47 79.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 0.0 111.282 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . 0.442 ' OE2' ' CD ' ' B' ' 174' ' ' GLU . 1.3 tm-20 -71.25 -43.39 67.34 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.876 -1.14 . . . . 0.0 109.838 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 171' ' ' LEU . 96.5 mt -63.15 -38.04 89.59 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.527 -0.733 . . . . 0.0 110.123 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.591 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.3 m-20 -60.22 -42.64 95.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 0.0 110.587 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.62 82.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.002 -1.061 . . . . 0.0 110.052 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.62 -36.5 84.45 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.44 -35.48 80.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.981 -1.074 . . . . 0.0 110.691 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 25.0 m-20 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.393 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.601 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.8 mt -66.0 -35.35 80.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.871 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.98 -41.32 71.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.97 -1.081 . . . . 0.0 108.255 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.75 -33.64 74.41 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -61.19 -40.59 94.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.443 -0.785 . . . . 0.0 110.394 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.8 -17.47 23.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 110.465 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.3 -1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.304 -179.456 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.7 m-20 -60.45 -36.53 78.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.319 -0.863 . . . . 0.0 109.354 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.53 -41.08 96.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.848 . . . . 0.0 109.518 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 -48.13 61.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.846 . . . . 0.0 109.974 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 50.2 ttt-85 -59.88 -41.97 92.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.954 . . . . 0.0 109.478 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 4' ' ' ASN . 79.4 t -60.85 -41.86 90.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.599 -0.688 . . . . 0.0 109.145 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.4 t -65.65 -47.18 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.894 . . . . 0.0 109.476 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.13 84.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.027 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 86.3 m -62.54 -38.69 91.0 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.384 -0.822 . . . . 0.0 108.968 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.23 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.353 -0.842 . . . . 0.0 109.042 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -61.55 -32.08 72.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.355 -0.84 . . . . 0.0 109.471 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -60.89 -41.66 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.87 . . . . 0.0 109.698 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -63.95 -38.8 92.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.323 -0.861 . . . . 0.0 109.958 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.15 -39.79 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.963 -1.086 . . . . 0.0 109.187 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -61.52 -32.97 73.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.429 -0.794 . . . . 0.0 109.978 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.14 -0.53 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.77 4.37 63.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 20' ' ' LEU . 80.8 mt -101.6 41.37 1.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -1.167 . . . . 0.0 109.17 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.54 -32.01 37.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.677 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.1 mt -57.28 -42.5 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.952 -1.322 . . . . 0.0 109.063 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.88 -48.13 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.934 -1.104 . . . . 0.0 108.573 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.45 81.07 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.35 -46.6 85.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -1.12 . . . . 0.0 109.73 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 27.7 m-85 -67.18 -36.97 82.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.852 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.96 -41.17 99.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 109.803 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.433 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -61.95 -40.35 95.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.071 -1.018 . . . . 0.0 108.921 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.68 -39.17 93.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.478 -0.764 . . . . 0.0 108.972 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -64.85 -46.88 80.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.71 81.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.97 -50.58 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.09 -1.006 . . . . 0.0 109.675 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -66.95 -30.28 70.37 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 6.1 tp -60.14 -45.02 94.45 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.23 -44.21 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.306 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.62 -37.46 87.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.499 -0.751 . . . . 0.0 109.822 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.4 m -77.14 1.32 18.62 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.431 -0.793 . . . . 0.0 109.235 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -93.27 125.25 37.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.309 -0.869 . . . . 0.0 109.297 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.7 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -92.59 125.73 37.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.136 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -136.27 143.34 44.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.669 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.16 159.38 20.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -52.89 -34.65 55.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.832 -1.167 . . . . 0.0 108.46 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -68.68 -41.0 79.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.947 -1.095 . . . . 0.0 109.82 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -62.79 -43.86 97.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.79 72.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.79 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.23 -39.56 93.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.268 -0.895 . . . . 0.0 109.758 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.23 91.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 m -60.71 -45.92 92.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.471 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.39 -37.58 75.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 109.596 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 52' ' ' LEU . 95.2 mt -63.78 -37.13 86.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.883 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.75 -38.56 78.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 0.0 109.26 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.33 -44.16 97.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 109.511 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.433 HG21 HE22 ' A' ' 28' ' ' GLN . 53.8 m -68.25 -48.62 64.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 0.0 109.713 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.5 mt -60.57 -47.62 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -42.07 92.56 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 109.093 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.32 87.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.166 -0.959 . . . . 0.0 109.013 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.4 t80 -62.59 -47.94 81.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.487 -0.758 . . . . 0.0 109.951 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.1 tttt -63.6 -43.56 96.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.798 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -63.31 -33.16 74.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 108.688 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.83 -31.01 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.399 -0.813 . . . . 0.0 108.85 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 HD11 ' A' ' 76' ' ' LEU . 71.8 mt -124.14 7.95 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.557 -0.714 . . . . 0.0 109.693 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.94 -38.13 73.51 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 2.85 63.49 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.67 -36.67 79.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.975 -1.309 . . . . 0.0 108.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 -31.27 1.27 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.84 -30.6 71.68 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.57 81.86 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.394 -0.816 . . . . 0.0 109.193 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.55 -43.58 80.05 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.49 -39.28 91.72 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.0 t -159.34 96.17 1.28 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.56 8.26 44.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 109.65 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -98.55 -75.28 0.56 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 110.112 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.9 p -67.08 -40.55 87.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.341 -0.849 . . . . 0.0 111.325 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.691 HD11 HG23 ' A' ' 63' ' ' ILE . 35.2 tp -66.08 -35.53 80.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.535 -1.353 . . . . 0.0 109.582 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -59.57 -44.56 93.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.175 -0.953 . . . . 0.0 109.155 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.576 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.98 -44.5 97.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.677 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.0 ttt -58.9 -36.58 74.93 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.671 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.13 -33.02 71.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 m -57.53 -38.52 74.82 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.7 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 72.2 mt -60.06 -40.86 90.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.555 -0.716 . . . . 0.0 109.562 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 25' ' ' TYR . 96.3 mt -82.56 -45.12 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.191 -0.943 . . . . 0.0 111.557 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.671 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 41.8 m-70 -77.58 -45.72 24.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 111.408 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -76.55 98.14 4.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.853 -1.154 . . . . 0.0 109.118 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.12 -37.45 87.5 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.05 -47.38 83.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.0 110.068 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.29 -43.21 86.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 0.0 109.339 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.73 -37.84 88.85 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 108.794 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.513 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.18 -45.64 72.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.461 -0.775 . . . . 0.0 109.68 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.83 -43.67 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.0 109.487 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -64.86 -44.12 90.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.15 -0.969 . . . . 0.0 109.5 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.35 -42.47 99.42 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.46 -41.29 96.62 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 89.9 m-20 -62.86 -42.03 99.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.366 -0.834 . . . . 0.0 109.391 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -65.36 -49.35 69.7 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.837 . . . . 0.0 109.017 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.537 ' OG1' HD11 ' A' ' 131' ' ' ILE . 60.0 m -63.54 -44.53 93.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.459 -0.776 . . . . 0.0 109.175 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.659 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 89.5 mmm -63.07 -38.85 92.84 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.255 -0.903 . . . . 0.0 109.49 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -61.82 -46.4 89.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.555 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 43.6 tp -66.15 -43.04 88.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.802 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 40.9 t80 -61.68 -41.43 97.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.533 -0.73 . . . . 0.0 109.57 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.424 HD22 ' HG2' ' B' ' 146' ' ' GLN . 51.2 t-20 -61.46 -40.57 95.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.198 -0.939 . . . . 0.0 109.801 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.648 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.412 ' HZ2' ' CB ' ' A' ' 120' ' ' SER . 12.9 mmtt -63.62 -45.52 89.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -0.937 . . . . 0.0 109.68 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.802 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 61.1 mt -69.12 -35.7 76.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.095 -1.003 . . . . 0.0 108.599 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.569 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.5 tttp -59.78 -44.48 93.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.796 ' OE1' HD13 ' A' ' 117' ' ' LEU . 41.9 tt0 -63.95 -37.38 87.19 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.865 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -59.96 -32.13 70.52 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.654 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -58.86 -39.87 82.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.581 -0.7 . . . . 0.0 110.196 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.35 -24.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.182 -0.949 . . . . 0.0 110.266 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.24 156.98 1.43 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.83 141.39 89.9 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.891 2.394 . . . . 0.0 112.812 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.417 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.7 m-90 -106.13 138.15 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 108.886 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.17 173.02 17.44 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.919 -1.113 . . . . 0.0 110.42 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.37 -39.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.1 ttp -54.05 -41.99 68.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.993 -1.067 . . . . 0.0 108.231 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.796 HD13 ' OE1' ' A' ' 107' ' ' GLN . 46.6 tp -61.91 -36.95 82.86 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.424 -0.797 . . . . 0.0 109.074 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 85.2 tttt -57.64 -47.58 81.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.411 -0.806 . . . . 0.0 109.785 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -68.58 -37.48 79.89 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.576 -0.703 . . . . 0.0 110.324 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 87.0 p -62.31 -39.16 92.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.236 -0.915 . . . . 0.0 110.307 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.14 -40.27 95.8 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.006 -1.059 . . . . 0.0 109.211 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.843 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.7 m95 -62.35 -38.02 87.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.297 -0.877 . . . . 0.0 109.112 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -40.57 87.35 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.523 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.555 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 74.8 m -62.54 -40.69 97.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.869 . . . . 0.0 109.651 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.572 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -58.02 -42.24 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.31 -0.868 . . . . 0.0 109.898 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.13 -41.36 96.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.193 -0.942 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.47 -40.39 96.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 110.176 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.685 ' HB3' HD11 ' A' ' 151' ' ' ILE . 26.3 m-85 -64.96 -44.11 90.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 110.044 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.5 m -60.99 -36.39 79.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.739 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.65 -43.57 84.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.892 . . . . 0.0 109.77 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.585 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 98.7 mt -59.38 -42.22 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.082 -1.011 . . . . 0.0 110.202 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 147' ' ' LEU . 94.8 mt -67.75 -45.12 75.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 0.0 110.208 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.455 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.4 t60 -69.93 -43.19 72.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 111.294 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.2 mt -59.36 -32.47 70.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.218 -0.926 . . . . 0.0 111.496 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -142.21 59.85 1.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.737 -1.227 . . . . 0.0 110.99 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -61.74 -38.27 87.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 109.039 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.25 -27.15 66.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.637 -0.664 . . . . 0.0 111.158 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.513 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 8.6 t30 -91.71 -0.43 57.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.798 -1.188 . . . . 0.0 110.4 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.31 126.06 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.866 . . . . 0.0 108.927 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.85 159.76 34.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 109.539 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.4 -40.27 95.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.32 -0.862 . . . . 0.0 109.419 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.9 m -63.88 -45.69 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.364 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 m -63.47 -38.35 90.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.096 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 132' ' ' LEU . 43.8 m -61.51 -39.69 91.91 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.419 -0.801 . . . . 0.0 109.445 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -57.96 -40.01 79.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.783 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 t -62.0 -40.69 96.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.0 109.038 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 132' ' ' LEU . 86.5 mt -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.491 -0.756 . . . . 0.0 109.593 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.53 -37.32 80.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 109.478 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.713 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.6 tttt -62.13 -41.05 97.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.01 . . . . 0.0 108.549 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.659 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.0 mtt180 -62.42 -42.89 99.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.35 -0.844 . . . . 0.0 108.799 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.7 mt -67.25 -46.96 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 17.7 mmtt -61.07 -37.29 82.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.633 -0.667 . . . . 0.0 109.372 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.776 ' OH ' HD11 ' B' ' 154' ' ' LEU . 8.3 t80 -56.22 -43.8 78.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 25.3 m -66.24 -42.13 89.04 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.56 -44.09 89.59 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.446 -0.784 . . . . 0.0 109.726 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.5 HD12 HD22 ' B' ' 163' ' ' LEU . 80.8 mt -69.61 -50.17 52.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 110.507 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.865 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.83 -36.63 82.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.197 -0.939 . . . . 0.0 110.467 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.843 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.0 tp -60.39 -37.51 81.02 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.9 m -66.64 -45.17 79.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.937 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -60.37 -37.19 79.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.42 -0.8 . . . . 0.0 109.695 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 158' ' ' LEU . 15.3 mt -59.68 -35.33 74.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.193 -0.942 . . . . 0.0 108.529 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.65 71.29 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.556 -0.715 . . . . 0.0 109.662 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.453 ' HE3' HD21 ' B' ' 171' ' ' LEU . 49.7 mttm -77.96 -16.29 58.28 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.052 -1.03 . . . . 0.0 109.011 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.03 11.25 76.81 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.63 -29.16 61.18 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.548 -0.972 . . . . 0.0 109.93 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.4 mm -101.94 131.18 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.092 -1.005 . . . . 0.0 109.031 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.646 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.713 HG22 ' ND2' ' B' ' 129' ' ' ASN . 82.0 mt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.713 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.8 m120 -75.34 19.95 0.16 Allowed 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.576 HD12 HG22 ' A' ' 78' ' ' VAL . 20.6 tt -66.51 -42.1 89.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.554 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.9 m-20 -69.82 -41.91 74.35 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.698 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -66.81 -46.01 76.56 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.674 0.749 . . . . 0.0 109.057 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.887 0.851 . . . . 0.0 109.527 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 52.8 mtp . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.739 0.781 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.0 -34.44 78.11 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.325 -0.86 . . . . 0.0 108.89 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.02 -37.54 80.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.78 -33.99 69.12 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.56 -30.61 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.16 -0.963 . . . . 0.0 108.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.02 -38.36 70.41 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . 0.424 ' HG2' HD22 ' A' ' 102' ' ' ASN . 7.1 tt0 -59.25 -36.51 75.62 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.42 81.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -55.79 -39.64 71.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.041 -1.27 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.569 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 tt0 -60.47 -34.16 73.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.8 tt -55.26 -44.66 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.08 -41.42 96.61 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 0.0 108.819 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.564 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.9 -38.34 88.01 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.701 -0.624 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 33.3 t -64.75 -50.67 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 110.24 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.776 HD11 ' OH ' ' A' ' 153' ' ' TYR . 1.3 mm? -67.01 -33.24 75.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.126 -0.984 . . . . 0.0 109.169 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.06 97.82 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.654 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 83.7 mtp -64.7 -37.2 86.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.0 t-20 -60.4 -38.89 85.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 109.363 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.64 106.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.401 -0.812 . . . . 0.0 109.217 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.33 -35.58 72.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.161 -0.962 . . . . 0.0 109.193 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.4 p -82.37 0.68 40.78 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -60.92 99.36 0.19 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -114.93 152.03 33.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.481 -1.011 . . . . 0.0 109.34 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 149' ' ' LYS . 40.4 mt -55.06 -32.74 62.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -0.907 . . . . 0.0 109.463 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -58.92 -30.39 67.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.9 . . . . 0.0 109.371 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -75.45 -21.19 58.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.613 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.1 mt -101.82 131.71 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.22 -0.925 . . . . 0.0 108.784 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 66.6 m -58.06 72.43 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 0.0 110.392 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.3 t0 -64.2 -36.67 84.84 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.011 -1.055 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.28 71.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.016 -1.053 . . . . 0.0 112.014 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.9 67.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.752 -1.218 . . . . 0.0 109.823 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.453 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.5 mt -62.36 -38.61 90.23 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.676 -0.64 . . . . 0.0 110.531 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 90.8 m-20 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.136 -0.977 . . . . 0.0 110.496 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.47 86.05 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.007 -1.058 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.08 -37.62 86.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.235 -0.916 . . . . 0.0 110.298 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 158' ' ' LEU . 17.3 tp -67.77 -35.19 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.957 -1.089 . . . . 0.0 110.439 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 33.0 m-20 -61.67 -36.84 81.98 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.81 71.37 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.075 -1.016 . . . . 0.0 108.339 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.07 -37.14 83.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.49 -0.756 . . . . 0.0 110.067 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.461 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -57.56 -43.27 84.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.56 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.56 -36.71 81.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.353 -0.842 . . . . 0.0 109.445 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.8 tm-20 -70.77 -45.42 64.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.325 -0.859 . . . . 0.0 110.169 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.3 m-20 -70.13 -36.63 74.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.121 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--N 1.3 -1.573 0 O-C-N 121.448 -0.782 . . . . 0.0 109.223 -179.519 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 8' ' ' VAL . 23.6 m120 -60.62 -36.55 78.89 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.307 -0.87 . . . . 0.0 109.38 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.593 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.96 -39.6 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.319 -0.863 . . . . 0.0 109.583 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.6 88.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.919 . . . . 0.0 110.064 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 46.8 ttt-85 -59.89 -41.34 91.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.133 -0.979 . . . . 0.0 109.287 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.57 HG11 ' HD2' ' A' ' 30' ' ' TYR . 98.0 t -60.63 -40.36 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.38 -47.61 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.188 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.66 82.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.285 -0.884 . . . . 0.0 108.713 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 47.1 m -61.39 -38.65 87.81 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -39.19 80.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.402 -0.811 . . . . 0.0 108.841 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -60.54 -33.27 72.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.376 -0.828 . . . . 0.0 109.139 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.37 -38.89 85.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 109.215 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' HG21 ' A' ' 23' ' ' ILE . 60.4 m-85 -63.06 -43.47 98.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.248 -0.907 . . . . 0.0 108.85 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.36 -41.45 97.08 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.98 -29.04 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.86 -9.44 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.516 -0.74 . . . . 0.0 109.473 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.29 4.73 62.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' H ' HG12 ' A' ' 18' ' ' VAL . 94.2 mt -103.94 58.77 0.73 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -1.172 . . . . 0.0 109.151 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.88 62.77 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.686 HD11 ' CE ' ' A' ' 79' ' ' MET . 69.1 mt -57.47 -43.4 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.95 -1.323 . . . . 0.0 109.585 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.556 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.1 mm -67.69 -47.47 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.041 -1.037 . . . . 0.0 108.797 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.43 84.11 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 73.0 t80 -58.24 -47.88 82.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -1.036 . . . . 0.0 109.96 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.4 m-85 -66.41 -34.92 79.03 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.081 -1.012 . . . . 0.0 109.814 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 87.4 mt -63.65 -36.89 85.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.56 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.82 -41.63 87.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.098 -1.001 . . . . 0.0 108.968 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -66.7 -37.5 84.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.175 -0.953 . . . . 0.0 108.823 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.701 ' O ' HD13 ' A' ' 34' ' ' LEU . 72.4 t80 -60.72 -46.08 91.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.523 -0.736 . . . . 0.0 110.546 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.87 85.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 110.092 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.992 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -65.2 -33.36 75.81 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.431 -0.793 . . . . 0.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.7 mp -61.23 -45.5 94.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.553 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.83 -45.5 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.893 . . . . 0.0 109.388 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.64 -36.57 84.68 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.396 -0.815 . . . . 0.0 109.696 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -68.04 -14.3 62.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -91.06 123.74 34.76 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.508 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.383 -0.823 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.96 125.85 32.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.177 -0.952 . . . . 0.0 110.009 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.69 144.27 37.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.605 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 55.0 m -114.1 160.39 18.99 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.89 -34.84 56.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.974 -1.079 . . . . 0.0 108.533 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.15 -44.57 68.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.269 -0.894 . . . . 0.0 109.815 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -69.82 -40.9 75.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.957 -1.089 . . . . 0.0 109.981 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 m -63.08 -42.86 99.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.755 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.43 76.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.814 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.33 -40.63 96.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.286 -0.884 . . . . 0.0 109.659 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.06 92.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.13 -0.982 . . . . 0.0 109.527 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.66 -45.85 92.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.422 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -38.31 77.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.229 -0.92 . . . . 0.0 109.908 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.0 mt -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.1 -1.0 . . . . 0.0 109.977 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.82 -40.47 84.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.979 -1.076 . . . . 0.0 109.394 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.9 -42.19 99.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.29 -0.881 . . . . 0.0 109.308 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 m -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.1 mp -55.81 -51.22 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.077 -1.015 . . . . 0.0 109.204 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.04 -38.49 88.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -0.93 . . . . 0.0 109.584 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.72 88.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.165 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.25 -48.93 60.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.368 -0.833 . . . . 0.0 109.65 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.8 tttt -64.08 -39.68 94.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.377 -0.827 . . . . 0.0 109.34 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -62.91 -33.96 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.98 -31.49 68.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.516 -0.74 . . . . 0.0 109.165 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.654 ' O ' HG22 ' A' ' 63' ' ' ILE . 76.0 mt -123.63 9.72 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.559 -0.713 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.24 -37.92 55.78 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.78 3.06 64.48 Favored Glycine 0 N--CA 1.489 2.214 0 O-C-N 121.217 -1.167 . . . . 0.0 110.282 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.78 -37.15 83.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.041 -1.27 . . . . 0.0 109.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.92 -29.66 1.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.47 -31.33 72.46 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.77 81.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.504 -0.747 . . . . 0.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.67 -44.13 81.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.608 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.72 -39.68 94.06 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -158.49 94.89 1.3 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.2 p30 -93.06 6.44 47.96 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.93 . . . . 0.0 109.675 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -95.53 -74.83 0.54 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.279 -0.888 . . . . 0.0 110.008 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -67.16 -38.15 84.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.416 -0.803 . . . . 0.0 111.393 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.514 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -70.81 -36.48 72.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.547 -1.346 . . . . 0.0 109.726 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.42 -45.32 94.06 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.652 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.76 93.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.7 ttt -58.85 -36.46 74.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.94 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -56.92 -37.68 71.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 59.3 mt -60.26 -40.88 91.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.458 -0.776 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.544 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.2 mt -85.68 -45.49 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.258 -0.901 . . . . 0.0 111.361 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.469 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 87.0 m-70 -73.26 -46.29 50.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 0.0 111.195 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.28 100.95 9.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.836 -1.165 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.55 -37.27 86.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.468 -0.77 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.8 -47.46 83.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 110.411 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.539 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 75.7 tttt -66.1 -41.8 90.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.327 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.4 -37.76 88.54 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.289 -0.882 . . . . 0.0 108.795 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.01 -45.77 68.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.658 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.76 -46.14 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.927 . . . . 0.0 109.907 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -62.85 -44.21 96.72 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.141 -0.974 . . . . 0.0 109.384 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.93 -43.23 99.37 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.161 -0.962 . . . . 0.0 108.879 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.94 -42.16 99.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.471 -0.768 . . . . 0.0 109.051 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' O ' ' OG ' ' A' ' 99' ' ' SER . 94.8 m-20 -62.6 -41.02 98.72 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.536 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.19 -49.36 70.05 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.237 -0.914 . . . . 0.0 108.944 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.502 ' OG1' HD11 ' A' ' 131' ' ' ILE . 61.1 m -63.27 -45.32 92.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.402 -0.811 . . . . 0.0 108.893 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.653 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.5 mmm -63.21 -39.51 94.84 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.336 -0.853 . . . . 0.0 109.423 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.4 m -62.65 -46.45 88.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.008 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.563 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 57.1 tp -66.38 -44.41 83.22 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.6 t80 -61.62 -41.56 97.64 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.567 -0.708 . . . . 0.0 109.695 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 46.3 t30 -61.86 -39.56 92.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.297 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.35 -39.82 94.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.134 -0.979 . . . . 0.0 109.971 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.718 ' HZ1' ' CB ' ' A' ' 120' ' ' SER . 29.4 mmtp -63.6 -45.2 91.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.077 -1.014 . . . . 0.0 109.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CG ' ' B' ' 150' ' ' LEU . 34.0 mt -67.09 -36.6 82.31 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.885 -1.135 . . . . 0.0 108.176 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 14.2 tttt -60.56 -46.03 91.71 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.33 -36.87 83.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.6 tp -58.03 -33.15 68.67 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 16.6 tttt -59.18 -39.36 82.31 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.756 -0.59 . . . . 0.0 110.016 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.24 -20.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.155 -0.966 . . . . 0.0 110.924 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.94 158.03 3.14 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.19 138.96 69.72 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.937 2.424 . . . . 0.0 112.609 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.3 m-90 -106.58 135.84 47.4 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -157.56 172.06 19.23 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.939 -1.101 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.4 t -55.65 -38.86 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.6 ttm -54.98 -42.45 72.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.982 -1.074 . . . . 0.0 108.687 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.474 HD11 ' HD2' ' A' ' 104' ' ' LYS . 35.1 tp -62.33 -35.76 80.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.951 . . . . 0.0 109.004 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HG3' HD11 ' A' ' 158' ' ' LEU . 76.6 tttt -57.34 -47.1 82.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.489 -0.757 . . . . 0.0 109.998 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -67.72 -39.76 84.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.38 -0.825 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.718 ' CB ' ' HZ1' ' A' ' 104' ' ' LYS . 14.8 m -62.92 -39.88 95.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.868 . . . . 0.0 109.931 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 104' ' ' LYS . 85.9 mt -61.88 -40.6 95.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.207 -0.933 . . . . 0.0 109.197 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.836 ' NE1' HD21 ' A' ' 158' ' ' LEU . 42.0 m95 -63.44 -38.55 91.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.26 -0.9 . . . . 0.0 109.077 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.66 -39.73 91.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.529 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 66.6 m -62.96 -40.22 97.02 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.624 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -58.56 -42.02 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.3 -40.2 89.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.087 -1.008 . . . . 0.0 109.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.72 -39.18 93.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 110.421 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.8 m-85 -64.72 -44.75 89.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 110.128 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -62.34 -36.47 82.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 109.868 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.543 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 95.8 m -64.62 -43.17 94.59 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.984 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.502 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.9 mt -58.97 -45.09 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 110.139 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -67.85 -41.81 82.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.014 -1.054 . . . . 0.0 109.826 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.503 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.6 t60 -70.08 -45.24 67.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.487 -0.758 . . . . 0.0 110.706 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 88.9 mt -62.59 -34.09 76.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.332 -0.855 . . . . 0.0 111.439 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -140.1 55.56 1.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.759 -1.213 . . . . 0.0 110.632 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -38.22 89.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.258 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.76 -25.72 66.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.47 -0.769 . . . . 0.0 110.786 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.411 HD22 ' HE2' ' A' ' 90' ' ' LYS . 17.1 t30 -91.46 1.21 57.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.836 -1.165 . . . . 0.0 110.142 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.03 130.91 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 109.183 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 m -70.5 159.91 33.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.932 . . . . 0.0 109.391 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.64 -38.06 89.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.96 . . . . 0.0 109.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.9 m -64.31 -44.88 90.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.905 . . . . 0.0 109.425 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 m -63.48 -39.1 93.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.351 -0.843 . . . . 0.0 109.386 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.575 HG23 HD22 ' A' ' 132' ' ' LEU . 51.4 m -61.71 -39.59 92.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.0 109.62 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.68 -41.19 81.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.288 -0.882 . . . . 0.0 109.587 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.99 -40.83 97.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.376 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -66.05 -41.61 90.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.391 -0.818 . . . . 0.0 109.74 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.41 -38.36 86.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.467 -0.771 . . . . 0.0 109.446 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.64 -40.65 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.653 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.5 mtt180 -61.18 -42.58 98.82 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.293 -0.879 . . . . 0.0 109.27 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.92 -40.88 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.7 mmtt -61.09 -39.65 90.74 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.398 0.618 . . . . 0.0 109.862 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 48.6 t80 -57.86 -43.71 86.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.491 -0.756 . . . . 0.0 109.149 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.45 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -65.43 -40.59 93.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 108.943 179.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.69 -43.8 90.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.416 -0.803 . . . . 0.0 109.631 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.559 HG23 HD13 ' B' ' 171' ' ' LEU . 97.2 mt -69.4 -50.46 51.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 111.03 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.83 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.56 -35.6 80.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 110.38 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.836 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.9 tp -59.89 -36.01 76.04 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 108.518 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 59.2 p -69.04 -44.32 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 110.048 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -63.19 -37.41 87.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.772 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 158' ' ' LEU . 21.5 mt -60.26 -36.79 78.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.22 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.637 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.6 -26.66 65.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.331 -0.855 . . . . 0.0 109.959 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.59 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 27.6 mttt -77.97 -16.27 58.28 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.077 -1.014 . . . . 0.0 109.43 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.23 10.21 80.67 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.239 -1.945 . . . . 0.0 108.239 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.52 -27.75 60.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.549 -0.971 . . . . 0.0 109.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 16.6 mm -101.78 126.39 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.992 . . . . 0.0 108.829 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.512 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' B' ' 130' ' ' ILE . 72.8 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.603 ' C ' HD22 ' B' ' 129' ' ' ASN . 0.3 OUTLIER -73.58 20.25 0.1 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.652 HD12 HG22 ' A' ' 78' ' ' VAL . 19.4 tt -63.23 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.584 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -71.94 -41.46 67.79 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.829 0.823 . . . . 0.0 108.785 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -66.97 -41.34 87.03 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.468 0.651 . . . . 0.0 109.953 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.444 -0.785 . . . . 0.0 110.26 -179.089 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.728 0.775 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.596 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -56.85 -33.68 67.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.121 -0.987 . . . . 0.0 109.212 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.21 -37.6 77.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.197 -0.939 . . . . 0.0 108.96 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.75 -34.01 70.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.356 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.596 HD12 HD13 ' B' ' 141' ' ' LEU . 52.8 mt -67.8 -29.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.006 -1.059 . . . . 0.0 108.324 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.47 -38.34 74.34 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.6 mt-30 -59.44 -35.95 75.0 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.21 -33.35 84.0 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.0 -38.83 71.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.053 -1.263 . . . . 0.0 107.85 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.87 -34.17 74.2 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.694 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.4 tt -54.86 -45.29 74.55 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.4 -40.0 92.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.445 -0.784 . . . . 0.0 109.269 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.559 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 2.8 tm-20 -62.01 -39.05 90.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 109.753 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 30.7 t -64.47 -50.76 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.87 . . . . 0.0 110.357 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.59 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.1 mm? -67.09 -33.86 76.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.125 -0.984 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -64.66 -43.3 94.05 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.31 -0.869 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.559 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 55.7 mtt -69.75 -39.81 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.975 . . . . 0.0 109.875 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.9 -43.5 98.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.674 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.581 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.3 t-20 -176.35 102.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 23.9 m120 -57.94 -35.9 71.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.166 -0.959 . . . . 0.0 109.088 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 37.9 p -84.97 5.19 30.2 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . 0.581 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.46 97.77 0.06 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -125.6 151.47 46.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.558 -0.966 . . . . 0.0 109.112 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.654 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.53 -34.26 66.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.504 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.23 -32.51 70.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.362 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -75.48 -27.29 58.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.458 -0.776 . . . . 0.0 110.005 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -99.45 131.04 47.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 108.766 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . 0.53 ' O ' HD12 ' B' ' 171' ' ' LEU . 17.1 p -58.55 72.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.414 -0.804 . . . . 0.0 110.355 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -62.8 -36.55 83.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -0.943 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.58 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.058 -1.026 . . . . 0.0 111.78 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . 0.402 ' OE1' ' C ' ' B' ' 170' ' ' GLU . 0.5 OUTLIER -72.84 -37.21 67.5 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.741 -1.224 . . . . 0.0 109.672 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 156' ' ' ILE . 35.3 mt -65.3 -38.43 90.18 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.615 -0.678 . . . . 0.0 109.937 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.3 m-20 -62.51 -43.31 99.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.365 -0.834 . . . . 0.0 110.704 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.76 89.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.091 -1.005 . . . . 0.0 109.929 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.59 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -65.03 -36.98 86.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.104 -0.998 . . . . 0.0 110.15 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 20.5 tp -66.66 -35.08 79.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.976 -1.078 . . . . 0.0 110.674 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.479 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 21.9 m-20 -61.52 -37.02 82.21 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.338 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.69 -43.4 69.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.095 -1.003 . . . . 0.0 108.335 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.637 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.7 mt -66.48 -35.08 79.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.403 -0.811 . . . . 0.0 109.673 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.63 -40.09 71.69 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.064 -1.022 . . . . 0.0 108.41 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -61.99 -33.75 74.89 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.29 -40.6 94.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.457 -0.777 . . . . 0.0 110.751 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -93.24 -17.47 23.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.3 -1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.25 -179.612 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.42 -36.7 78.77 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.202 -0.936 . . . . 0.0 109.464 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.18 -39.89 94.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.268 -0.895 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.74 -48.19 67.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.968 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.477 HH12 ' C ' ' A' ' 122' ' ' TRP . 48.5 ttt180 -60.99 -40.98 95.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.942 . . . . 0.0 109.252 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 4' ' ' ASN . 78.7 t -60.78 -42.08 90.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ALA . 68.6 t -66.16 -47.83 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.69 84.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.304 -0.873 . . . . 0.0 108.873 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -61.39 -38.79 88.33 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.53 83.44 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.73 -31.86 72.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.0 109.365 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -60.77 -41.44 95.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.647 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -63.95 -38.27 90.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.744 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.99 -39.06 88.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 0.0 109.076 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -60.45 -33.3 72.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -3.66 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.309 -0.87 . . . . 0.0 109.968 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.82 4.75 63.28 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.1 mt -99.1 50.59 0.95 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 0.0 109.363 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.66 -31.78 57.99 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.762 HD11 ' CE ' ' A' ' 79' ' ' MET . 74.9 mt -57.47 -42.82 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -1.22 . . . . 0.0 109.458 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.12 -48.07 82.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 120.93 -1.106 . . . . 0.0 108.775 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.68 81.14 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.73 -47.87 83.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -1.13 . . . . 0.0 109.678 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.5 m-85 -67.37 -36.72 81.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.01 . . . . 0.0 110.11 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.19 -41.28 98.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.093 -1.005 . . . . 0.0 109.779 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mt-30 -62.32 -40.22 95.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.14 -39.65 93.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.401 -0.812 . . . . 0.0 109.177 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 5.2 t80 -65.81 -47.3 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.85 . . . . 0.0 110.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.69 81.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 109.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.8 t -60.37 -50.86 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.06 -1.025 . . . . 0.0 109.625 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.32 -30.37 70.19 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -60.34 -45.03 94.89 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.254 0.549 . . . . 0.0 109.559 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.06 -41.77 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 0.0 109.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -0.793 . . . . 0.0 109.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -67.22 -16.79 64.5 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.01 122.62 30.3 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.474 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -35.59 80.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -86.02 125.78 33.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -137.31 143.91 42.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 95.3 p -114.08 163.19 15.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -53.44 -35.41 60.45 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.959 -1.088 . . . . 0.0 108.692 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.01 -45.18 67.8 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.7 mtp -68.99 -40.72 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.027 -1.046 . . . . 0.0 109.925 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 m -62.72 -43.63 98.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 0.0 109.518 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.32 75.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.805 . . . . 0.0 109.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.36 -40.7 97.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.71 87.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.003 . . . . 0.0 109.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -61.45 -45.81 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -0.824 . . . . 0.0 110.536 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.02 -37.78 74.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.4 mt -64.2 -37.07 86.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.259 -0.9 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -58.64 -38.86 78.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.999 -1.063 . . . . 0.0 109.396 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.23 -43.51 98.65 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.498 HG21 HE22 ' A' ' 28' ' ' GLN . 43.0 m -66.44 -46.46 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.836 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.4 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.79 -49.4 84.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.405 -0.809 . . . . 0.0 109.569 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.68 -40.09 95.95 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.11 -0.994 . . . . 0.0 109.181 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.45 -41.43 80.27 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.679 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.3 t80 -63.73 -48.45 77.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.438 -0.789 . . . . 0.0 109.696 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 58.1 tttt -64.08 -41.0 97.47 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.371 -0.83 . . . . 0.0 109.304 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -63.22 -34.21 77.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 108.623 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -59.67 -31.76 69.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.538 -0.727 . . . . 0.0 109.207 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 76' ' ' LEU . 71.6 mt -122.97 11.55 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.585 -0.697 . . . . 0.0 109.756 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.0 -34.11 22.8 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.29 15.81 52.24 Favored Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.119 -1.224 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.77 -87.77 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.862 -1.376 . . . . 0.0 108.528 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -69.75 -34.41 73.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.89 -30.4 71.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.604 -0.685 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -57.89 -40.55 80.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.212 -0.93 . . . . 0.0 109.262 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -43.26 86.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.95 -39.52 87.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.712 0.768 . . . . 0.0 109.06 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.48 ' O ' ' OG ' ' A' ' 72' ' ' SER . 10.1 p -163.74 99.19 0.89 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -99.59 4.88 46.0 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.266 -0.896 . . . . 0.0 109.569 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -93.89 -76.14 0.49 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.2 p -66.96 -37.22 83.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.34 -0.85 . . . . 0.0 111.166 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 63' ' ' ILE . 31.6 tp -68.29 -35.64 78.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.535 -1.353 . . . . 0.0 109.725 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.578 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.2 t60 -60.14 -45.48 92.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.247 -0.908 . . . . 0.0 109.718 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.51 -42.22 92.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.109 -0.994 . . . . 0.0 108.511 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.762 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.9 ttt -58.75 -36.43 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.39 -32.68 71.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -56.8 -37.75 71.58 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.3 mt -60.43 -41.31 93.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.508 -0.745 . . . . 0.0 109.595 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.546 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.0 mt -85.44 -45.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.231 -0.918 . . . . 0.0 111.336 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.478 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -72.91 -46.51 52.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.287 -0.883 . . . . 0.0 111.209 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.37 100.71 9.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.955 -1.091 . . . . 0.0 109.606 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.51 -36.86 85.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.376 -0.827 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.72 -47.4 83.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 110.291 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.982 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.68 -37.89 89.03 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -45.64 72.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.428 -0.795 . . . . 0.0 109.698 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.3 -44.23 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.595 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.85 -41.95 95.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.15 -40.96 97.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 108.812 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.61 -41.26 96.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 108.919 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.8 ' ND2' HD11 ' B' ' 144' ' ' ILE . 2.1 m120 -60.65 -42.33 96.75 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.324 -0.86 . . . . 0.0 109.444 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -66.3 -49.05 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.31 -0.869 . . . . 0.0 109.055 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 41.9 m -62.05 -44.66 96.21 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.401 -0.812 . . . . 0.0 109.221 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 90.4 mmm -62.65 -38.54 90.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.163 -0.96 . . . . 0.0 109.392 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 m -62.69 -46.21 89.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.105 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.578 HD21 ' SG ' ' A' ' 124' ' ' CYS . 52.1 tp -67.18 -43.31 82.51 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.629 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.03 -43.06 99.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.546 -0.721 . . . . 0.0 109.199 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -62.67 -39.05 92.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.746 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.14 -42.25 99.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.832 . . . . 0.0 110.034 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.578 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 16.2 mmtt -64.76 -45.43 86.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.043 -1.035 . . . . 0.0 109.437 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.629 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 52.8 mt -67.75 -36.58 80.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.177 -0.952 . . . . 0.0 108.644 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 31.6 tttp -60.85 -46.22 91.44 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.9 mt-30 -63.11 -36.77 84.7 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -58.97 -31.95 69.21 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 68.1 tttt -58.85 -34.84 72.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.611 -0.681 . . . . 0.0 109.942 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -175.36 -26.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.093 -1.004 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -47.45 158.04 0.62 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.48 141.12 85.46 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.972 2.448 . . . . 0.0 112.692 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.3 m-90 -106.01 135.72 46.97 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -152.09 174.31 13.85 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.955 -1.091 . . . . 0.0 110.58 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.63 -39.84 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.673 -0.642 . . . . 0.0 109.369 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 61.5 mtt -57.75 -39.16 76.73 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.846 -1.159 . . . . 0.0 108.702 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 32.9 tp -61.48 -40.16 93.53 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 82.8 tttt -62.24 -48.8 78.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.542 0.687 . . . . 0.0 109.758 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -68.96 -40.95 78.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.436 -0.79 . . . . 0.0 109.572 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.578 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -62.74 -37.77 87.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.806 . . . . 0.0 109.5 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 104' ' ' LYS . 35.9 mt -61.71 -42.42 98.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 109.53 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.861 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.7 m95 -60.84 -37.05 80.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 108.865 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.7 94.86 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.545 -0.722 . . . . 0.0 109.555 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.578 ' SG ' HD21 ' A' ' 100' ' ' LEU . 33.9 m -62.67 -39.55 94.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -58.11 -42.48 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.837 . . . . 0.0 109.974 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.65 -40.15 93.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.234 -0.916 . . . . 0.0 110.476 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.699 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.4 m-85 -65.04 -43.81 91.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.005 -1.059 . . . . 0.0 110.106 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 m -61.71 -36.03 79.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.117 -0.989 . . . . 0.0 109.842 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -65.21 -41.59 94.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 0.0 109.822 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.559 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.6 mt -59.43 -44.93 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.096 -1.003 . . . . 0.0 110.326 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 147' ' ' LEU . 85.1 mt -67.13 -41.63 85.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.001 . . . . 0.0 110.34 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -70.25 -46.17 64.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 111.016 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.87 -34.22 75.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.251 -0.906 . . . . 0.0 111.292 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -139.81 53.31 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 110.71 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -38.14 89.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 109.032 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.21 -25.32 66.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.439 -0.788 . . . . 0.0 110.642 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.445 HD21 ' HG3' ' A' ' 87' ' ' GLU . 51.8 t30 -91.48 1.44 57.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.885 -1.134 . . . . 0.0 110.315 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.5 mt -117.34 129.98 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.077 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.57 159.85 33.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.515 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.15 -44.81 94.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.38 -38.58 91.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.344 -0.848 . . . . 0.0 109.404 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 132' ' ' LEU . 45.7 m -61.63 -40.35 94.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.43 -0.793 . . . . 0.0 109.694 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.93 -40.0 79.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 109.596 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -62.71 -40.87 98.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.348 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.778 HD12 HD21 ' A' ' 132' ' ' LEU . 86.6 mt -65.9 -41.76 91.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.354 -0.841 . . . . 0.0 109.662 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.4 -38.31 86.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.517 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -62.46 -41.27 98.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.907 . . . . 0.0 109.056 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.6 mtt180 -61.67 -42.4 98.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.214 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -66.04 -41.76 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.322 -0.861 . . . . 0.0 108.795 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.583 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.5 mmtt -61.09 -39.07 88.54 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.551 -0.718 . . . . 0.0 109.793 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.714 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 34.3 t80 -57.31 -43.68 83.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.389 -0.819 . . . . 0.0 108.901 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.16 -41.4 94.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.0 108.823 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.48 -43.89 89.12 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.319 -0.863 . . . . 0.0 109.63 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' B' ' 166' ' ' ILE . 82.6 mt -69.49 -50.51 50.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.807 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.93 -35.97 81.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.928 . . . . 0.0 110.484 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.861 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.4 tp -59.85 -37.18 78.54 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.9 m -66.27 -46.16 77.98 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.35 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.4 -38.07 85.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.616 -0.678 . . . . 0.0 109.717 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.542 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.1 mt -63.83 -41.5 97.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.81 61.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 109.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -83.63 -2.54 56.33 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.272 -0.892 . . . . 0.0 109.806 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.46 12.5 84.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -75.01 -29.19 60.79 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.26 -1.141 . . . . 0.0 109.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.0 mm -106.71 133.91 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.183 -0.948 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.978 -1.457 . . . . 0.0 109.55 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 16.9 m120 -75.48 19.93 0.17 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.12 -42.2 93.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.545 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.1 m-20 -72.03 -41.01 68.01 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.419 ' HD2' HD22 ' B' ' 129' ' ' ASN . 76.2 mttt -67.0 -42.23 85.36 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.386 0.612 . . . . 0.0 109.817 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.0 110.185 -179.055 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 68.8 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.82 -33.23 68.39 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.91 -36.64 75.04 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 48.3 mt -58.04 -31.94 67.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.8 HD11 ' ND2' ' A' ' 95' ' ' ASN . 41.9 mm -67.36 -32.0 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.62 -38.55 69.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.12 -36.24 74.85 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.48 81.06 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.92 -39.2 71.32 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.979 -1.306 . . . . 0.0 107.883 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 76.9 tt0 -61.01 -33.85 73.92 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.685 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.0 tt -55.05 -44.15 74.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.52 -40.05 90.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 109.168 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.568 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.6 tm-20 -62.26 -37.19 84.5 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.489 -0.757 . . . . 0.0 109.701 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 109' ' ' LYS . 25.1 t -64.72 -50.14 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 110.476 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.2 mm? -66.24 -33.4 75.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.155 -0.965 . . . . 0.0 109.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.0 109.625 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.6 mtp -66.72 -41.01 88.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.983 -1.073 . . . . 0.0 110.001 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.82 -46.3 90.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.8 t-20 -177.55 104.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 87.9 m-20 -57.83 -35.97 71.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 108.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 39.4 p -86.13 6.59 28.52 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . 0.592 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.45 97.8 0.06 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -121.63 153.44 38.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.598 -0.943 . . . . 0.0 108.993 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.708 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.96 -34.39 65.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.441 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.46 -33.28 71.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.226 -0.921 . . . . 0.0 109.671 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.32 -27.31 59.21 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.297 -0.877 . . . . 0.0 110.133 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.4 mt -98.2 134.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.437 -0.789 . . . . 0.0 108.996 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 94.7 p -60.35 68.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.42 -0.8 . . . . 0.0 110.261 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -63.81 -38.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.68 77.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.007 . . . . 0.0 111.176 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.35 -42.51 68.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.915 -1.116 . . . . 0.0 109.829 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.53 -38.33 90.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.691 . . . . 0.0 110.173 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.583 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.6 m-20 -60.73 -42.51 97.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.185 -0.947 . . . . 0.0 110.485 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.85 88.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.7 -38.12 83.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.213 -0.929 . . . . 0.0 110.19 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.507 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.14 -37.34 80.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.142 -0.974 . . . . 0.0 110.485 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.97 -39.7 95.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.007 -1.058 . . . . 0.0 109.129 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.93 -42.94 66.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 108.362 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.463 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.9 tp -65.67 -37.69 87.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.64 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.68 -41.54 70.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.088 -1.007 . . . . 0.0 109.061 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.37 -36.86 81.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 108.942 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.432 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -67.13 -45.3 77.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 110.019 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.579 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 50.8 m-20 -72.16 -35.46 69.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.371 -0.831 . . . . 0.0 109.847 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.3 -1.577 0 O-C-N 121.529 -0.732 . . . . 0.0 109.253 -179.653 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.77 -37.7 82.72 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.174 -0.954 . . . . 0.0 109.223 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.59 -41.19 98.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.0 109.251 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.82 72.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.925 . . . . 0.0 109.773 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -60.08 -42.28 94.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 4' ' ' ASN . 70.9 t -61.29 -42.23 92.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.638 -0.664 . . . . 0.0 109.382 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.8 t -65.78 -47.16 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.377 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -40.6 80.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 108.913 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -62.72 -38.44 90.49 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.89 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.336 -0.853 . . . . 0.0 108.907 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.01 -32.9 73.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.398 -0.814 . . . . 0.0 109.641 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -60.77 -42.19 97.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.88 . . . . 0.0 109.914 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.05 -38.52 91.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 110.053 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.22 -38.85 88.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.014 -1.054 . . . . 0.0 109.238 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.8 -34.2 74.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.969 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.35 0.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 110.129 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.83 4.35 63.53 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.8 mt -99.62 33.49 2.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.085 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.83 8.21 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.798 HD11 ' CE ' ' A' ' 79' ' ' MET . 75.0 mt -57.37 -42.95 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.033 -1.275 . . . . 0.0 109.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.49 -48.59 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.133 -0.979 . . . . 0.0 108.401 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.29 -32.57 81.28 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.684 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.3 t80 -58.54 -47.18 85.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -1.105 . . . . 0.0 109.7 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.532 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 34.6 m-85 -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 110.126 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.72 -41.1 98.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.106 -0.996 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.26 -40.19 93.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.997 . . . . 0.0 108.859 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.24 -39.89 89.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.403 -0.811 . . . . 0.0 109.244 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.6 t80 -64.36 -43.75 93.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.468 -0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.69 81.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.771 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.61 -50.78 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 109.613 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.58 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.9 mt-10 -67.03 -30.07 70.05 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -59.84 -43.63 94.51 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.02 -44.15 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.188 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.03 -35.74 81.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.573 -0.704 . . . . 0.0 109.731 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -67.79 -14.52 63.02 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.98 124.2 33.48 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.368 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.23 -35.66 80.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.235 -0.915 . . . . 0.0 109.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.58 125.71 33.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.976 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.483 ' NH1' ' OG1' ' A' ' 46' ' ' THR . 34.6 mtm105 -139.59 141.32 37.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.81 . . . . 0.0 109.594 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 88.8 p -114.26 162.58 16.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -53.61 -35.36 60.83 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.933 -1.104 . . . . 0.0 108.733 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.06 -43.36 71.36 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.345 -0.847 . . . . 0.0 110.024 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.5 mtp -70.01 -40.78 75.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.902 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' NH1' ' A' ' 41' ' ' ARG . 49.9 m -61.99 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.366 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.63 74.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.75 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.17 -39.34 92.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.73 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.15 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.14 -0.975 . . . . 0.0 109.437 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -62.15 -45.83 91.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.26 -38.16 76.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.66 -37.23 86.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 109.929 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 79.7 mt -58.48 -39.4 79.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.06 -1.025 . . . . 0.0 109.466 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.01 -42.35 99.06 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.231 -0.918 . . . . 0.0 109.639 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 m -64.6 -45.47 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 0.0 110.136 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.28 -50.21 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.083 -1.011 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.66 -38.63 91.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.76 88.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.027 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -69.04 -48.86 61.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 64' ' ' GLY . 55.0 tttt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.413 -0.804 . . . . 0.0 109.422 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -63.02 -33.87 76.34 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.18 -31.47 69.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.561 -0.712 . . . . 0.0 109.155 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.683 ' O ' HG22 ' A' ' 63' ' ' ILE . 71.5 mt -123.43 10.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.542 -0.724 . . . . 0.0 109.776 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.38 -37.9 56.42 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.99 65.27 Favored Glycine 0 N--CA 1.489 2.227 0 O-C-N 121.208 -1.172 . . . . 0.0 110.208 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.47 -37.03 82.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.965 -1.314 . . . . 0.0 109.051 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.85 -29.92 1.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -31.44 72.6 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.48 77.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.798 . . . . 0.0 109.262 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.77 -42.84 89.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 108.631 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -64.52 -38.8 92.27 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.4 t -160.94 98.1 1.18 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -95.77 7.27 46.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.228 -0.92 . . . . 0.0 109.596 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -95.89 -75.66 0.52 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.17 -0.957 . . . . 0.0 109.93 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -67.39 -40.4 85.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.412 -0.805 . . . . 0.0 111.382 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 tp -70.26 -36.63 74.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.609 -1.307 . . . . 0.0 109.857 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.589 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.7 t60 -60.34 -45.13 94.54 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.57 -41.57 92.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.161 -0.962 . . . . 0.0 108.51 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.798 ' CE ' HD11 ' A' ' 22' ' ' ILE . 12.5 ttt -58.21 -35.93 72.38 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.685 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.08 -32.39 70.91 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.685 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 27.7 m -56.93 -37.71 71.89 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -60.21 -40.2 89.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.498 -0.751 . . . . 0.0 109.521 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.1 mt -85.96 -45.61 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.181 -0.95 . . . . 0.0 111.101 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 91.1 m-70 -72.01 -46.55 56.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 111.066 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -80.54 100.79 8.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.831 -1.168 . . . . 0.0 109.421 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.48 -37.46 87.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 0.0 110.387 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.55 -47.49 81.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 110.347 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.644 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 74.9 tttt -66.03 -41.77 90.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.11 -0.994 . . . . 0.0 109.434 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.61 -37.56 87.79 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.322 -0.861 . . . . 0.0 108.768 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.74 -45.3 66.95 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.465 -0.772 . . . . 0.0 109.63 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.75 -46.21 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.95 . . . . 0.0 109.712 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.12 -43.94 93.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.06 -1.025 . . . . 0.0 109.309 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tpt -62.73 -43.88 97.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -65.41 -42.94 92.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.58 HD21 HD11 ' B' ' 144' ' ' ILE . 2.2 m120 -62.85 -40.61 98.0 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.409 -0.807 . . . . 0.0 109.097 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.09 -49.97 65.7 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.441 -0.787 . . . . 0.0 109.066 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.514 ' OG1' HD11 ' A' ' 131' ' ' ILE . 69.8 m -62.91 -44.27 96.54 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.389 -0.82 . . . . 0.0 109.083 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.3 mmm -62.1 -38.13 87.73 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 109.3 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -62.21 -46.57 88.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 109.104 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 55.1 tp -65.32 -43.44 91.0 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.784 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.7 t80 -60.99 -42.24 98.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.421 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.5 t-20 -61.78 -38.66 88.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.66 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.69 -42.86 99.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.0 109.876 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.728 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 32.0 mmtp -64.32 -45.11 89.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.784 HD11 ' CE2' ' A' ' 101' ' ' TYR . 69.4 mt -65.5 -36.7 84.62 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 26.2 tttp -61.37 -46.37 90.47 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.453 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.6 mt-30 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.779 HD11 ' CE1' ' A' ' 157' ' ' TYR . 6.5 tp -57.84 -32.71 67.89 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.643 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 50.5 tttt -58.75 -40.66 84.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.765 -0.585 . . . . 0.0 110.113 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -169.34 -22.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.252 -0.905 . . . . 0.0 110.552 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.2 156.71 1.48 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.92 139.4 67.79 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.837 2.358 . . . . 0.0 112.704 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 167' ' ' GLY . 2.5 m-90 -106.17 135.58 47.39 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -153.87 173.23 16.19 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.912 -1.118 . . . . 0.0 110.636 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.42 -39.32 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.25 -42.53 77.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.631 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' HD2' ' A' ' 104' ' ' LYS . 41.9 tp -62.28 -36.95 83.68 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 108.975 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.3 tttt -56.84 -47.57 80.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.494 -0.754 . . . . 0.0 110.055 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.857 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.728 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 5.2 t -63.23 -38.44 91.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.249 -0.907 . . . . 0.0 110.314 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 121' ' ' LEU . 91.1 mt -61.08 -39.33 89.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.911 -1.118 . . . . 0.0 109.069 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.896 ' NE1' HD21 ' A' ' 158' ' ' LEU . 54.0 m95 -61.64 -37.24 83.27 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.043 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -43.76 94.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.432 -0.793 . . . . 0.0 109.678 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.556 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 37.3 m -60.55 -39.51 88.2 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.714 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.01 -42.76 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.056 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.82 -41.13 99.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.271 -0.893 . . . . 0.0 110.325 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.48 -40.29 94.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.46 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 151' ' ' ILE . 28.2 m-85 -64.41 -43.81 93.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.071 -1.018 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -61.08 -36.2 79.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.62 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -67.27 -44.52 79.11 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 109.687 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.602 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.1 mt -59.45 -41.93 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -0.973 . . . . 0.0 110.106 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 147' ' ' LEU . 92.6 mt -68.3 -44.94 74.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.088 -1.008 . . . . 0.0 110.257 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.58 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.2 t60 -70.31 -43.16 70.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.398 -0.814 . . . . 0.0 111.371 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 134' ' ' LEU . 84.8 mt -59.51 -33.63 71.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.121 -0.987 . . . . 0.0 111.722 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -142.53 63.31 1.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.695 -1.253 . . . . 0.0 111.002 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -63.28 -37.7 88.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.022 . . . . 0.0 109.488 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.18 -19.56 59.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 111.379 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.43 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 5.6 t30 -92.26 0.24 57.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.67 -1.269 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.7 mt -116.67 129.93 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.102 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.48 159.68 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 0.0 109.586 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.35 -40.38 95.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.27 -0.894 . . . . 0.0 109.597 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.87 -44.84 91.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.89 -37.93 88.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.381 -0.825 . . . . 0.0 109.304 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.6 m -61.26 -40.08 92.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 109.648 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.79 -42.89 85.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -62.55 -39.86 94.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.33 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 132' ' ' LEU . 87.9 mt -63.79 -41.22 97.98 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.43 -0.794 . . . . 0.0 109.775 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.89 -38.76 86.8 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.681 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.7 tttp -62.39 -40.69 97.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.018 . . . . 0.0 108.595 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.24 -43.49 98.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 108.818 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -65.81 -46.0 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 16.4 mmtt -61.1 -36.92 80.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 154' ' ' LEU . 2.7 t80 -55.86 -44.28 77.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.23 -43.94 80.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.261 -0.899 . . . . 0.0 108.713 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -59.35 -44.1 92.73 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.531 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.884 HG21 HD12 ' B' ' 166' ' ' ILE . 90.7 mt -70.15 -49.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 120.967 -1.083 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.779 ' CE1' HD11 ' A' ' 108' ' ' LEU . 2.3 m-85 -66.21 -35.8 81.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.113 -0.992 . . . . 0.0 110.932 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 1.015 HD23 HD11 ' B' ' 175' ' ' LEU . 27.0 tp -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.607 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.61 -39.93 73.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.281 -0.887 . . . . 0.0 109.507 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -60.48 -39.21 86.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 109.338 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.46 -36.47 76.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 108.494 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.47 -28.7 69.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.505 -0.747 . . . . 0.0 109.399 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -80.77 -16.03 54.87 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.16 -0.962 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.5 11.81 79.41 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.59 -29.81 61.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.538 -0.977 . . . . 0.0 109.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.32 131.81 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.164 -0.96 . . . . 0.0 108.758 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.46 ' C ' ' CE3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.069 0 CA-C-O 118.068 -1.406 . . . . 0.0 109.709 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' B' ' 130' ' ' ILE . 85.8 mt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.485 ' N ' HG22 ' B' ' 128' ' ' ILE . 12.2 m120 -75.11 19.82 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 18.9 tt -64.14 -41.73 93.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.543 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.2 m-20 -75.13 -40.81 59.5 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.733 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.428 ' HD2' HD22 ' B' ' 129' ' ' ASN . 80.5 mttt -66.15 -40.36 90.52 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.409 0.623 . . . . 0.0 110.027 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.263 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.636 0.731 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.44 -33.87 75.67 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.99 -38.29 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 108.877 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 143' ' ' LEU . 9.8 mp -57.44 -34.14 68.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.58 HD11 HD21 ' A' ' 95' ' ' ASN . 62.4 mt -67.98 -30.39 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.84 -38.55 72.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.4 -35.85 74.74 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -32.69 82.07 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.66 -38.6 69.81 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.966 -1.314 . . . . 0.0 107.522 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 74.3 tt0 -60.55 -33.12 72.21 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.693 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.8 tt -54.24 -43.8 71.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -60.81 -40.15 91.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.433 ' C ' ' OE1' ' B' ' 152' ' ' GLU . 12.2 tm-20 -62.3 -40.0 94.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 0.0 109.601 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -65.85 -51.28 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.0 110.004 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.49 HD11 ' OH ' ' A' ' 153' ' ' TYR . 3.2 mm? -67.46 -32.54 73.46 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 108.99 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.18 86.78 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 0.0 108.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.643 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.8 mtp -63.32 -32.06 73.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.051 -1.031 . . . . 0.0 108.524 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.3 t-20 -77.53 3.61 13.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.513 -0.742 . . . . 0.0 109.299 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.7 t-20 85.59 101.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.73 -33.51 70.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.421 -0.799 . . . . 0.0 109.175 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . 0.492 ' OG ' ' OD1' ' B' ' 158' ' ' ASN . 83.2 p -58.53 -19.05 34.34 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -57.01 102.22 0.2 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.9 tp10 -100.84 153.33 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -1.152 . . . . 0.0 109.871 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.681 HD11 ' HG3' ' A' ' 149' ' ' LYS . 29.6 mt -52.87 -31.78 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.418 -0.801 . . . . 0.0 109.314 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 92.4 m-20 -59.95 -23.59 63.69 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.318 -0.864 . . . . 0.0 109.941 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.66 -22.49 58.86 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.928 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.884 HD12 HG21 ' A' ' 156' ' ' ILE . 5.6 pt -107.97 138.64 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.218 -0.926 . . . . 0.0 109.346 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . 0.557 ' O ' HD12 ' B' ' 171' ' ' LEU . 69.7 m -57.79 76.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.5 t0 -61.39 -36.38 80.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.915 . . . . 0.0 110.304 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.36 80.77 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.094 -1.004 . . . . 0.0 111.33 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -70.69 -44.37 67.11 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.847 -1.158 . . . . 0.0 109.546 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.634 HD13 HG23 ' A' ' 156' ' ' ILE . 13.2 mt -61.23 -38.64 87.38 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.731 -0.606 . . . . 0.0 109.855 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.6 m-20 -66.47 -43.74 84.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.05 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.396 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.1 -30.41 70.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.037 -1.04 . . . . 0.0 109.855 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 1.015 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -66.25 -43.79 85.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -63.02 -41.3 99.52 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.012 -1.055 . . . . 0.0 109.538 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.46 61.05 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.094 -1.003 . . . . 0.0 108.924 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 162' ' ' ALA . 34.7 tp -63.75 -37.9 89.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -60.25 -40.59 90.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 109.595 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.42 -35.94 76.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 4.1 tm-20 -67.67 -44.55 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.875 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.412 ' CG ' ' OE1' ' B' ' 181' ' ' GLU . 28.4 m-20 -76.25 -35.39 58.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 110.195 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.266 -179.5 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.283 0.563 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.5 t30 -60.21 -38.07 82.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.13 -39.43 92.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.16 95.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.905 . . . . 0.0 109.819 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 48.7 ttt-85 -59.79 -41.2 90.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.939 . . . . 0.0 109.118 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.7 t -60.61 -39.91 82.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.29 -46.96 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.256 -0.902 . . . . 0.0 109.011 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.54 80.14 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.525 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 91.5 m -61.57 -38.62 88.19 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.26 80.43 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.6 -31.89 71.98 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.8 -41.08 94.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.377 -0.827 . . . . 0.0 109.558 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -63.91 -38.88 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.375 -0.828 . . . . 0.0 109.751 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.2 -39.66 91.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.054 -1.029 . . . . 0.0 108.955 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.76 -32.39 71.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.446 -0.784 . . . . 0.0 109.457 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.95 -5.1 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.904 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.96 4.89 62.96 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 20' ' ' LEU . 63.2 mt -95.65 60.99 2.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.978 -1.307 . . . . 0.0 109.28 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.54 85.3 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.62 HD11 ' HE2' ' A' ' 79' ' ' MET . 79.8 mt -57.64 -43.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.321 . . . . 0.0 109.7 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.83 -49.68 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.64 81.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 88.5 t80 -58.71 -48.9 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.381 -1.07 . . . . 0.0 109.891 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 37.7 m-85 -67.31 -35.13 78.81 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.116 -0.99 . . . . 0.0 109.821 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.2 mt -64.33 -40.85 96.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.467 HE22 HG21 ' A' ' 55' ' ' THR . 96.3 mt-30 -60.45 -39.52 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.901 -1.124 . . . . 0.0 108.506 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.07 -38.79 91.94 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 34' ' ' LEU . 65.2 t80 -64.52 -44.35 91.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.554 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.04 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 110.382 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.08 -47.9 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 0.0 110.286 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.592 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.5 mt-10 -64.29 -33.03 74.89 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.345 -0.847 . . . . 0.0 109.745 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.767 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.89 -46.94 87.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 109.876 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.16 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.41 -0.806 . . . . 0.0 109.667 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.98 -34.43 77.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.353 -0.842 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.9 p -67.73 -16.5 64.17 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -78.68 125.8 29.86 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.668 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.93 -34.76 78.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.319 -0.863 . . . . 0.0 109.551 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -96.74 125.95 41.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.93 143.37 49.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.361 -0.837 . . . . 0.0 109.571 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 50.2 m -114.11 160.23 19.17 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.9 -34.92 57.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.924 -1.11 . . . . 0.0 108.475 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.89 -42.59 73.21 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.27 -0.894 . . . . 0.0 109.868 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -72.25 -42.78 65.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.82 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 m -63.5 -42.9 98.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.24 80.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.25 -41.21 98.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 109.624 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.47 87.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.162 -0.961 . . . . 0.0 109.333 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -61.79 -45.67 92.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.409 -0.807 . . . . 0.0 110.316 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.9 -38.76 73.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.2 mt -64.0 -37.43 87.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.094 -1.004 . . . . 0.0 109.733 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.6 -39.96 81.89 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.062 . . . . 0.0 109.261 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.85 -43.0 99.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.269 -0.895 . . . . 0.0 109.188 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.467 HG21 HE22 ' A' ' 28' ' ' GLN . 56.0 m -66.72 -46.4 75.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.244 -0.91 . . . . 0.0 109.696 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.8 mt -61.76 -49.44 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.1 -39.98 95.23 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.72 78.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.217 -0.927 . . . . 0.0 108.91 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.1 t80 -61.61 -47.24 86.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.464 -0.773 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' GLY . 33.3 tttt -62.81 -37.9 88.58 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.429 -0.794 . . . . 0.0 109.393 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.35 -34.99 78.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 0.0 109.238 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.27 -31.13 69.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.62 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 63' ' ' ILE . 5.3 mt -122.82 9.48 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.457 -0.777 . . . . 0.0 109.957 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.29 -38.16 61.31 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.8 1.75 65.41 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.876 -1.367 . . . . 0.0 109.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.68 -28.63 1.4 Allowed 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.64 -30.97 71.76 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.97 83.0 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.422 -0.799 . . . . 0.0 109.277 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.64 -44.49 77.22 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.32 -39.23 92.16 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -159.97 97.05 1.26 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.59 7.55 46.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.639 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.7 -76.59 0.49 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 109.954 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.9 p -67.89 -39.43 83.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.381 -0.824 . . . . 0.0 111.43 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.08 -36.99 72.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.581 -1.324 . . . . 0.0 109.967 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 85.0 t60 -60.43 -45.16 94.63 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.2 -0.938 . . . . 0.0 109.639 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.89 -41.29 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.62 ' HE2' HD11 ' A' ' 22' ' ' ILE . 9.5 ttt -58.34 -35.86 72.55 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.07 -32.81 71.29 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.597 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.1 m -56.89 -37.02 70.79 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 67.6 mt -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 109.109 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -85.12 -45.85 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.178 -0.951 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 92.3 m-70 -72.48 -47.34 49.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 111.055 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -83.6 99.87 10.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.905 -1.122 . . . . 0.0 109.899 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.9 mp0 -64.91 -35.73 82.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.426 -0.797 . . . . 0.0 110.426 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' HG3' HD21 ' A' ' 138' ' ' ASN . 85.0 tt0 -60.89 -48.42 81.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.124 -0.985 . . . . 0.0 110.395 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' HD13 ' B' ' 130' ' ' ILE . 44.6 tttp -67.14 -40.49 86.75 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.768 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.22 -37.61 86.0 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -46.77 67.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.547 -0.72 . . . . 0.0 109.487 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.3 -47.3 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.64 -43.83 97.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.35 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.83 -43.75 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -65.16 -41.63 94.49 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.484 -0.76 . . . . 0.0 109.39 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.17 -49.32 67.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.294 -0.879 . . . . 0.0 108.958 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.1 m -61.72 -44.64 96.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.416 -0.803 . . . . 0.0 109.113 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.4 -39.72 94.16 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.25 -0.906 . . . . 0.0 109.234 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.6 m -63.88 -46.33 85.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.364 -0.835 . . . . 0.0 109.039 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 HD21 ' SG ' ' A' ' 124' ' ' CYS . 54.4 tp -66.19 -45.19 81.67 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 105' ' ' LEU . 44.8 t80 -61.65 -43.42 98.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.569 -0.707 . . . . 0.0 109.415 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.3 t-20 -62.29 -37.9 87.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.335 -0.853 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -62.77 -42.62 99.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 121' ' ' LEU . 51.8 mmtt -64.19 -44.93 90.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.031 -1.043 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 101' ' ' TYR . 44.0 mt -66.01 -36.79 84.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 0.0 108.432 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.573 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.0 tttp -61.03 -46.15 91.9 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.77 -36.77 84.17 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.99 -32.92 68.35 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.8 tttt -59.08 -41.42 87.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.766 -0.584 . . . . 0.0 109.93 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.2 m-20 -166.97 -4.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -67.21 157.14 51.77 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.68 138.23 63.15 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.765 2.31 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.433 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.0 135.29 47.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.065 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -154.88 172.21 18.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.06 -1.025 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.66 -38.82 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.721 -0.612 . . . . 0.0 109.457 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.413 ' HG3' HH21 ' A' ' 119' ' ' ARG . 51.3 ttm -56.64 -42.75 79.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.071 -1.018 . . . . 0.0 108.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.51 -35.92 80.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.253 -0.904 . . . . 0.0 108.917 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.474 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.2 tttt -57.23 -47.01 82.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 110.091 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.413 HH21 ' HG3' ' A' ' 116' ' ' MET . 74.0 mtm180 -66.09 -40.57 90.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.395 -0.816 . . . . 0.0 109.894 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 9.0 m -61.94 -38.95 90.38 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.435 -0.791 . . . . 0.0 109.945 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 104' ' ' LYS . 88.2 mt -61.6 -42.65 99.18 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.119 -0.988 . . . . 0.0 109.21 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.867 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.1 m95 -62.65 -37.91 88.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 108.651 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.467 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.11 -40.1 94.06 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.66 -0.65 . . . . 0.0 109.46 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.568 ' SG ' HD21 ' A' ' 100' ' ' LEU . 63.2 m -63.86 -40.12 95.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.545 HG23 HG23 ' A' ' 151' ' ' ILE . 94.1 mt -58.57 -42.15 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.895 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.78 -40.01 86.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 0.0 109.935 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.51 -40.08 95.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.427 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.697 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.9 m-85 -64.79 -43.82 91.98 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.093 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -61.15 -36.61 80.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.73 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.645 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 84.2 m -65.08 -43.01 93.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.209 -0.932 . . . . 0.0 109.896 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.2 mt -59.2 -43.92 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 110.087 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 147' ' ' LEU . 81.1 mt -68.69 -44.49 73.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.958 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.592 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.1 t60 -69.46 -45.67 68.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.505 -0.747 . . . . 0.0 110.983 -179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 89.8 mt -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.472 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -136.69 60.06 1.67 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.849 -1.157 . . . . 0.0 110.757 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -62.8 -36.48 83.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.0 109.674 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.67 -23.72 59.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.364 -0.835 . . . . 0.0 111.473 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.438 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.7 t30 -92.35 0.09 57.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.666 -1.271 . . . . 0.0 110.145 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.404 HD13 HD23 ' A' ' 132' ' ' LEU . 72.5 mt -118.03 125.96 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.506 -0.746 . . . . 0.0 109.187 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -71.14 159.59 34.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.61 -40.11 92.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.0 m -65.05 -46.3 81.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.913 . . . . 0.0 109.442 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.7 p -66.57 -31.97 73.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 0.0 108.911 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.518 HG23 HD22 ' A' ' 132' ' ' LEU . 47.1 m -62.35 -41.02 98.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.468 -0.77 . . . . 0.0 109.039 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.01 -37.97 78.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.482 -0.761 . . . . 0.0 109.318 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 t -61.46 -42.83 99.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 0.0 109.233 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 132' ' ' LEU . 91.2 mt -65.88 -41.49 91.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.367 -0.833 . . . . 0.0 109.527 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.42 -36.87 81.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -39.99 94.59 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.274 -0.891 . . . . 0.0 109.006 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -61.22 -42.39 98.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.0 109.189 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.2 mt -65.96 -40.66 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.333 -0.854 . . . . 0.0 108.826 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.6 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.2 mmtt -61.09 -40.11 92.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.59 -0.694 . . . . 0.0 109.895 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 40.9 t80 -57.45 -43.66 84.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.96 -41.23 95.65 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -58.71 -43.87 90.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.425 -0.797 . . . . 0.0 109.649 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.47 -50.6 49.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -66.99 -35.72 80.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 110.35 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.867 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 m -65.4 -45.37 84.26 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.492 -0.755 . . . . 0.0 109.207 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.66 -38.95 89.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.556 -0.715 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -63.82 -41.56 97.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.495 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.604 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.34 -24.64 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.794 . . . . 0.0 109.69 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.556 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.3 mtpt -84.05 -3.97 58.43 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.332 -0.855 . . . . 0.0 109.824 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.72 12.2 84.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -74.99 -28.63 60.62 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.279 -1.13 . . . . 0.0 109.896 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -106.52 132.92 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.0 109.234 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 CA-C-O 118.018 -1.434 . . . . 0.0 109.586 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.532 ' C ' ' H ' ' B' ' 130' ' ' ILE . 70.8 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.423 HD22 ' HD2' ' B' ' 132' ' ' LYS . 14.3 m120 -76.28 20.13 0.22 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.45 -42.83 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.598 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.7 m-20 -75.13 -41.07 59.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.504 -0.878 . . . . 0.0 108.844 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.423 ' HD2' HD22 ' B' ' 129' ' ' ASN . 55.2 mttm -65.73 -41.09 92.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.533 0.683 . . . . 0.0 109.652 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.462 -0.774 . . . . 0.0 109.646 -179.528 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.598 0.713 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.6 mm? -63.77 -36.48 84.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.158 -0.964 . . . . 0.0 108.773 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.183 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.8 -36.22 71.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.014 -1.054 . . . . 0.0 108.662 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.3 mt -68.49 -31.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.948 -1.095 . . . . 0.0 108.294 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.69 -37.88 77.03 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . 0.522 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.43 -35.5 74.15 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.32 -34.36 87.91 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.245 -1.942 . . . . 0.0 108.245 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -56.12 -38.86 71.35 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.965 -1.315 . . . . 0.0 107.814 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.573 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.54 -33.7 73.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.1 tt -54.99 -44.98 74.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.8 -40.54 95.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.173 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -62.5 -39.23 92.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.58 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.436 HG22 ' HD2' ' A' ' 109' ' ' LYS . 34.3 t -64.44 -50.63 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.889 . . . . 0.0 110.287 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.83 -33.36 75.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.137 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.01 95.9 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.397 -0.814 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.0 mtp -64.62 -38.84 92.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.075 -1.016 . . . . 0.0 109.45 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.4 t-20 -60.87 -37.95 83.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.366 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.81 109.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.504 -0.748 . . . . 0.0 109.028 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.89 -35.12 70.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 46.9 p -82.61 1.97 35.58 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.62 97.94 0.06 OUTLIER Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -121.69 154.78 36.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.559 -0.965 . . . . 0.0 109.08 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.716 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -54.48 -33.4 59.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.181 -0.95 . . . . 0.0 109.339 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.33 -33.02 70.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.325 -0.859 . . . . 0.0 109.575 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.4 -23.61 57.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.657 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 41.2 mt -101.77 134.79 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.202 -0.936 . . . . 0.0 108.92 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 20.5 t -60.09 69.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -64.56 -38.08 89.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 110.62 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.81 77.21 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.11 -0.994 . . . . 0.0 111.253 -178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -43.0 67.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.899 -1.126 . . . . 0.0 109.808 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.19 -38.28 90.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.527 -0.733 . . . . 0.0 110.184 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.6 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.8 m-20 -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.13 -0.981 . . . . 0.0 110.477 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.36 85.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.105 -0.997 . . . . 0.0 109.862 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.556 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -66.07 -37.35 85.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 110.119 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 158' ' ' LEU . 18.8 tp -66.62 -36.18 81.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.999 -1.063 . . . . 0.0 110.524 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.034 -1.041 . . . . 0.0 108.436 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.79 -41.55 71.5 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.604 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.8 mt -67.1 -37.81 84.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.166 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.26 -42.44 77.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.106 -0.996 . . . . 0.0 109.136 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.02 -38.68 86.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.348 -0.845 . . . . 0.0 109.043 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.04 -43.14 79.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.408 -0.808 . . . . 0.0 109.333 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 35.5 m-20 -73.2 -33.42 65.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.475 -0.765 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.52 -0.738 . . . . 0.0 109.223 -179.422 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.44 -36.69 78.82 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.215 -0.928 . . . . 0.0 109.376 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.946 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.14 -39.5 92.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.391 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.29 91.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.699 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttt85 -60.13 -42.68 95.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -42.14 92.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.22 -46.3 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 0.0 109.2 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.51 82.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 108.971 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -61.77 -38.56 88.49 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.99 82.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.1 -31.49 71.17 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.466 -0.771 . . . . 0.0 109.095 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.47 -40.24 90.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.407 -0.808 . . . . 0.0 109.116 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -63.72 -36.74 84.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.398 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.71 -41.78 95.9 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.111 -0.993 . . . . 0.0 108.801 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -60.1 -30.4 69.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.43 -10.64 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.469 -0.769 . . . . 0.0 109.666 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.14 4.75 62.75 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 79.6 mt -96.94 60.33 1.73 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.236 . . . . 0.0 109.181 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.19 78.44 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.7 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.7 mt -57.73 -43.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.299 . . . . 0.0 109.625 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.56 -49.72 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.952 -1.093 . . . . 0.0 108.68 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.87 -32.46 79.69 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.2 t80 -58.86 -48.46 81.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.404 -1.056 . . . . 0.0 109.832 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.7 m-85 -67.51 -36.25 80.69 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.107 -0.995 . . . . 0.0 110.207 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.421 HE22 HG21 ' A' ' 55' ' ' THR . 94.9 mt-30 -62.51 -40.21 96.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.07 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.1 -39.91 90.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.462 -0.774 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 4.9 t80 -64.04 -45.7 87.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.816 . . . . 0.0 110.081 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.301 -0.874 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.04 -51.03 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.98 -1.075 . . . . 0.0 109.883 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -67.06 -30.31 70.33 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 tp -60.24 -43.45 96.06 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.69 -46.36 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.355 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.83 -36.13 82.9 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.544 -0.723 . . . . 0.0 109.704 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.5 p -67.85 -14.61 63.1 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -89.43 124.93 34.92 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.357 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.37 -35.17 78.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -83.02 125.64 31.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.991 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -145.69 142.47 29.03 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.842 . . . . 0.0 109.587 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.43 ' H ' ' HB3' ' A' ' 45' ' ' MET . 28.3 t -114.17 158.41 21.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.83 -35.24 56.86 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.195 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.5 -42.24 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.399 -0.813 . . . . 0.0 109.54 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.43 ' HB3' ' H ' ' A' ' 42' ' ' SER . 8.5 tpt -69.69 -42.61 73.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.104 -0.997 . . . . 0.0 109.555 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.8 m -61.32 -41.7 97.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.469 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.95 77.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.756 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.25 -39.45 92.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.0 109.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.65 92.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.56 -45.97 91.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.409 -0.807 . . . . 0.0 110.411 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.39 -37.68 75.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.483 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.47 -37.07 85.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.831 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 66.1 mt -58.48 -38.94 78.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -60.91 -41.07 95.42 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.248 -0.908 . . . . 0.0 109.038 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.421 HG21 HE22 ' A' ' 28' ' ' GLN . 39.4 m -66.88 -44.64 80.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.75 -51.2 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.95 -38.18 87.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.78 85.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.917 . . . . 0.0 109.078 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -68.04 -48.95 64.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.6 tttt -64.32 -39.8 94.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.127 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -62.87 -33.79 76.01 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.88 -31.17 68.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.673 ' O ' HG22 ' A' ' 63' ' ' ILE . 76.1 mt -124.77 9.98 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.531 -0.73 . . . . 0.0 109.917 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.97 -37.23 44.39 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.25 0.91 65.06 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.07 -37.93 75.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.418 . . . . 0.0 108.691 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.92 -29.77 0.83 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.86 -31.27 72.4 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -60.05 -36.07 76.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.333 -0.855 . . . . 0.0 109.221 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -39.15 90.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.291 -0.881 . . . . 0.0 109.344 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -58.58 -40.86 84.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.471 -0.768 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -126.49 -62.93 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.528 -0.732 . . . . 0.0 109.073 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 68.03 -20.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.522 -0.736 . . . . 0.0 109.912 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 72' ' ' SER . 24.3 mttm -91.05 -80.85 0.33 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.054 -1.029 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.9 p -68.1 -34.47 76.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.848 . . . . 0.0 110.548 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 63' ' ' ILE . 29.5 tp -67.76 -37.29 81.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.748 -1.22 . . . . 0.0 109.667 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.0 t60 -60.43 -45.44 93.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.221 -0.925 . . . . 0.0 109.534 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.642 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.19 -41.22 88.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.226 -0.921 . . . . 0.0 108.723 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.7 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.2 ttt -58.54 -36.3 73.66 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.69 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.19 -32.83 71.45 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.69 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 30.8 m -57.02 -38.41 73.08 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.3 mt -60.51 -41.05 93.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.551 -0.718 . . . . 0.0 109.814 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.418 HG23 ' CE2' ' A' ' 25' ' ' TYR . 93.7 mt -84.63 -45.06 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.203 -0.936 . . . . 0.0 111.464 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.482 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 94.6 m-70 -74.22 -46.53 41.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 111.164 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.55 100.13 8.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.142 . . . . 0.0 109.573 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.38 -36.71 85.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.8 tt0 -62.74 -47.63 82.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.228 -0.92 . . . . 0.0 110.314 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' B' ' 130' ' ' ILE . 48.6 tttp -65.97 -41.63 90.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.139 -0.975 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.13 -38.01 89.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.372 -0.83 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.98 -44.45 70.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 109.579 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.64 -41.23 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.247 -0.908 . . . . 0.0 109.778 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -65.42 -45.06 85.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.975 -1.078 . . . . 0.0 109.526 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.252 -0.905 . . . . 0.0 108.795 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -42.63 94.39 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.1 m120 -63.14 -41.44 99.29 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.285 -0.884 . . . . 0.0 109.139 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -65.66 -49.52 68.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.315 -0.866 . . . . 0.0 108.896 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.493 ' OG1' HD11 ' A' ' 131' ' ' ILE . 62.7 m -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.5 mmm -63.63 -39.39 94.22 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.296 -0.878 . . . . 0.0 109.242 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 27.7 m -63.52 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.396 -0.815 . . . . 0.0 109.166 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 60.0 tp -65.59 -44.99 84.91 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.742 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 46.0 t80 -60.63 -41.45 94.92 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.62 -0.675 . . . . 0.0 109.514 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.14 -39.0 88.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 110.16 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.2 -40.08 95.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 110.044 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 28.3 mmtt -64.74 -45.49 86.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 109.44 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 33.3 mt -67.64 -36.74 81.34 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.0 tttp -61.06 -46.31 91.19 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.8 mt-30 -63.61 -36.82 85.07 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.3 tp -58.15 -32.57 68.31 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.665 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 73.0 tttt -59.16 -41.63 88.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.778 -0.576 . . . . 0.0 109.87 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.6 m-20 -167.05 -5.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.235 -0.916 . . . . 0.0 111.094 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.62 157.28 50.52 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.27 137.91 63.5 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.78 2.32 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.442 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.07 135.66 47.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.428 -0.795 . . . . 0.0 109.019 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -155.27 173.11 17.09 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.056 -1.027 . . . . 0.0 110.385 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.62 -38.72 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.716 -0.615 . . . . 0.0 109.354 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.16 -42.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.892 -1.13 . . . . 0.0 108.773 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 117' ' ' LEU . 36.0 tp -62.45 -36.15 81.51 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.298 -0.876 . . . . 0.0 108.98 178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 81.6 tttt -57.15 -47.61 80.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.0 109.858 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.21 -39.08 86.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.462 -0.773 . . . . 0.0 109.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.582 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.9 t -61.99 -39.77 93.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 0.0 109.944 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 104' ' ' LYS . 89.2 mt -61.75 -40.1 93.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -0.975 . . . . 0.0 109.278 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.911 ' NE1' HD21 ' A' ' 158' ' ' LEU . 52.7 m95 -61.95 -37.45 84.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.41 -0.807 . . . . 0.0 109.396 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.92 94.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.387 -0.821 . . . . 0.0 109.7 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.6 m -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.273 -0.892 . . . . 0.0 109.695 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 HG23 ' A' ' 151' ' ' ILE . 95.2 mt -58.5 -42.02 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.865 . . . . 0.0 110.019 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.0 -41.19 97.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.0 110.136 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.03 -38.74 89.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.328 -0.858 . . . . 0.0 110.354 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.679 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.5 m-85 -64.76 -43.02 94.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.041 -1.037 . . . . 0.0 110.41 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.5 p -65.08 -31.75 73.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.024 -1.047 . . . . 0.0 109.933 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -68.79 -42.86 76.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.607 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.22 -42.68 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.076 -1.015 . . . . 0.0 110.217 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 HD12 ' A' ' 147' ' ' LEU . 82.2 mt -66.89 -44.99 79.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.9 t60 -70.13 -41.99 73.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 111.139 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 134' ' ' LEU . 80.4 mt -60.01 -33.35 71.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.191 -0.943 . . . . 0.0 111.588 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -143.08 61.88 1.4 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.275 . . . . 0.0 111.076 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -62.46 -38.48 89.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.007 -1.058 . . . . 0.0 109.153 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -69.11 -26.21 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.636 -0.665 . . . . 0.0 111.356 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.454 HD21 ' HG3' ' A' ' 87' ' ' GLU . 44.0 t30 -91.65 0.74 57.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.742 -1.224 . . . . 0.0 110.507 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.1 mt -117.57 127.33 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.131 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.63 159.99 33.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.214 -0.929 . . . . 0.0 109.492 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.19 -38.54 91.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.205 -0.934 . . . . 0.0 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.2 m -64.85 -45.04 87.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.17 -38.33 90.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.394 -0.816 . . . . 0.0 109.354 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.547 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.06 -39.95 91.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.451 -0.78 . . . . 0.0 109.545 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.84 -41.92 83.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -0.833 . . . . 0.0 109.69 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.81 -40.25 94.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.0 109.415 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 132' ' ' LEU . 87.1 mt -65.03 -41.34 95.33 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.348 -0.845 . . . . 0.0 109.684 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.02 -36.78 80.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.483 -0.761 . . . . 0.0 109.487 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.19 -40.6 96.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.96 . . . . 0.0 109.136 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.41 -42.25 98.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.24 -0.912 . . . . 0.0 109.02 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.8 mt -66.31 -43.21 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.326 -0.859 . . . . 0.0 108.808 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.585 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.7 mmtt -61.16 -39.93 91.98 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.575 -0.703 . . . . 0.0 109.68 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.734 ' OH ' HD11 ' B' ' 154' ' ' LEU . 32.2 t80 -58.28 -43.78 88.17 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -40.84 91.07 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -59.03 -44.1 91.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.535 -0.728 . . . . 0.0 109.401 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.437 ' CG2' HG21 ' B' ' 166' ' ' ILE . 88.9 mt -69.6 -49.96 54.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.154 -0.966 . . . . 0.0 110.61 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.802 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.41 -34.94 79.07 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.193 -0.942 . . . . 0.0 110.886 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.913 HD23 HD11 ' B' ' 175' ' ' LEU . 36.5 tp -59.2 -35.16 73.1 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.68 ' HB2' HD23 ' B' ' 175' ' ' LEU . 2.3 t -66.01 -50.08 65.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.559 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -59.42 -38.55 80.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.633 -0.667 . . . . 0.0 109.704 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.558 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -65.48 -41.73 92.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -73.0 -24.23 60.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.683 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -84.12 -3.7 58.28 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.268 -0.895 . . . . 0.0 109.741 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 12.66 84.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.95 -29.09 60.83 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -1.155 . . . . 0.0 109.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.558 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.3 mm -106.42 132.04 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.915 . . . . 0.0 109.188 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.62 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.589 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.589 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 2.8 m120 -74.88 19.96 0.13 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.642 HD12 HG22 ' A' ' 78' ' ' VAL . 19.6 tt -64.27 -41.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.537 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.3 m-20 -75.75 -43.08 48.44 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.93 -40.47 96.53 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.451 0.643 . . . . 0.0 109.738 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.753 . . . . 0.0 110.167 -179.204 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.466 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 76.7 mtp . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 121.656 0.741 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.42 -34.71 78.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.334 -0.853 . . . . 0.0 108.759 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.2 -35.94 76.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.95 -33.45 68.85 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.96 -30.8 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.135 -0.978 . . . . 0.0 108.85 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.64 -36.73 76.95 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.44 -35.76 74.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.28 83.84 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.075 -2.01 . . . . 0.0 108.075 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.83 -38.65 70.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.965 -1.315 . . . . 0.0 107.752 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.2 tt0 -60.37 -33.54 72.6 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.9 tt -54.57 -44.37 72.89 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.98 -40.22 92.6 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.358 -0.839 . . . . 0.0 109.252 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.28 -38.06 87.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.424 -0.798 . . . . 0.0 109.673 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.12 -50.31 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 110.347 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.734 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.4 mm? -66.5 -33.37 75.55 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.13 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.82 96.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.665 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.2 mtp -66.48 -39.47 88.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.144 -0.972 . . . . 0.0 109.641 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.91 -39.23 88.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.853 . . . . 0.0 109.506 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.668 ' N ' HD22 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 171.04 106.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.443 -0.786 . . . . 0.0 109.116 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.9 -36.38 72.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.115 -0.99 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.2 m -85.17 6.94 23.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.76 97.89 0.06 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -120.99 153.15 37.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.499 -1.001 . . . . 0.0 109.206 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.663 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -55.63 -33.59 64.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.171 -0.956 . . . . 0.0 109.367 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.22 -31.66 69.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.356 -0.84 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.15 -27.34 59.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 110.031 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.5 mt -98.76 133.25 41.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 108.883 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.5 m -60.14 69.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.378 -0.826 . . . . 0.0 110.194 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -62.89 -38.42 90.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.67 77.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.049 -1.032 . . . . 0.0 111.286 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.28 68.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.902 -1.124 . . . . 0.0 109.724 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 159' ' ' SER . 52.9 mt -64.15 -37.59 88.0 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.589 -0.694 . . . . 0.0 109.797 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.585 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.9 m-20 -58.6 -41.15 85.16 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.114 -0.991 . . . . 0.0 110.494 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.21 80.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.994 -1.066 . . . . 0.0 110.072 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.4 -33.97 77.21 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.708 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.913 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.56 -41.73 99.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 110.553 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.35 -38.79 92.51 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.017 -1.052 . . . . 0.0 109.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.75 65.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 108.982 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 162' ' ' ALA . 94.2 mt -65.28 -33.27 75.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 109.513 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.86 -41.78 83.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.95 . . . . 0.0 108.711 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.44 -32.92 72.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.206 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -61.16 -40.87 95.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.422 -0.799 . . . . 0.0 110.371 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -93.53 -17.93 22.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.211 -0.93 . . . . 0.0 110.233 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.274 0.559 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -60.43 -36.91 79.3 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.115 -0.99 . . . . 0.0 109.461 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.82 94.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 0.0 109.423 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.08 95.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.06 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.657 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 50.4 t -60.86 -43.66 96.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.16 -46.25 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.884 . . . . 0.0 109.571 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.91 89.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.5 m -62.34 -40.62 96.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.31 86.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.137 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -60.99 -32.25 71.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.85 . . . . 0.0 109.262 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -60.92 -43.12 99.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -0.822 . . . . 0.0 109.558 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 23' ' ' ILE . 86.2 m-85 -64.5 -38.97 92.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -61.01 -42.62 98.81 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.115 -0.991 . . . . 0.0 108.725 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -61.45 -30.14 70.4 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.58 -11.95 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.6 -0.688 . . . . 0.0 109.699 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.33 5.04 63.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.5 mt -96.09 70.22 2.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.296 . . . . 0.0 109.396 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -32.94 84.34 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.67 HD11 ' CE ' ' A' ' 79' ' ' MET . 77.2 mt -57.76 -43.32 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.026 -1.279 . . . . 0.0 109.915 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' CE2' ' A' ' 15' ' ' PHE . 35.1 mm -66.72 -46.26 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.747 -1.221 . . . . 0.0 108.579 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.61 -33.18 81.05 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 73.8 t80 -58.82 -49.78 76.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.455 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 45.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.091 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 27' ' ' LEU . 95.3 mt -64.03 -43.13 96.51 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.157 -0.964 . . . . 0.0 110.19 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' OE1' HG21 ' A' ' 55' ' ' THR . 96.7 mt-30 -60.83 -38.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.928 -1.107 . . . . 0.0 108.401 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.8 tp -65.5 -39.34 91.76 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.75 ' CE1' HD11 ' A' ' 34' ' ' LEU . 32.5 t80 -63.77 -44.13 94.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.496 -0.753 . . . . 0.0 109.879 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -65.45 -37.99 88.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.11 -48.07 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.116 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.3 mt-10 -64.04 -31.65 72.92 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.412 -0.805 . . . . 0.0 109.842 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.75 HD11 ' CE1' ' A' ' 30' ' ' TYR . 5.8 mp -61.02 -47.74 85.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.185 -0.947 . . . . 0.0 109.603 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.99 -45.93 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.295 -0.878 . . . . 0.0 109.309 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.68 -38.67 91.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 109.69 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -79.04 1.47 23.92 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.46 -0.775 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -98.28 127.12 44.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.339 -0.851 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.95 -35.68 80.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.96 125.72 39.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.215 -0.928 . . . . 0.0 110.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -139.72 120.15 14.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.827 . . . . 0.0 108.996 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 p -75.37 160.1 30.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.65 -35.09 65.57 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.958 -1.089 . . . . 0.0 108.656 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.87 -41.31 78.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.322 -0.861 . . . . 0.0 109.855 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.22 -38.42 78.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.022 -1.049 . . . . 0.0 110.021 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -58.15 -44.15 87.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.091 -1.006 . . . . 0.0 108.692 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.36 70.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.86 -39.74 92.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 109.613 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.56 85.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.101 -1.0 . . . . 0.0 109.554 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -62.93 -46.11 89.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.59 -40.68 92.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.74 -37.77 88.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.88 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.57 -40.55 83.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 110.002 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -39.66 88.98 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.243 -0.911 . . . . 0.0 109.321 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.418 HG21 ' OE1' ' A' ' 28' ' ' GLN . 85.8 m -61.65 -37.68 84.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.449 -0.782 . . . . 0.0 110.191 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.53 -51.5 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.276 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.3 -38.47 85.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.72 94.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 109.353 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 64.5 t80 -70.56 -49.05 52.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.353 -0.842 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.6 ' O ' ' N ' ' A' ' 64' ' ' GLY . 65.7 tttt -63.57 -40.75 97.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.302 -0.874 . . . . 0.0 109.355 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -63.13 -33.81 76.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 108.56 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.15 -31.2 68.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.597 -0.689 . . . . 0.0 109.178 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 63' ' ' ILE . 66.1 mt -124.04 9.21 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.519 -0.738 . . . . 0.0 109.733 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.86 -37.4 69.73 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.5 62.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -37.87 72.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.326 . . . . 0.0 108.83 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -134.87 -30.12 1.1 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.21 -31.4 72.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.85 78.4 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.431 -0.793 . . . . 0.0 109.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -42.56 85.92 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.046 -1.034 . . . . 0.0 108.379 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.71 -39.13 90.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.4 t -160.55 96.57 1.16 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.1 p30 -97.32 8.72 44.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.11 -75.61 0.54 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.968 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -67.05 -38.7 86.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 111.101 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 63' ' ' ILE . 33.0 tp -65.35 -35.11 79.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.598 -1.314 . . . . 0.0 109.487 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -59.37 -45.13 92.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.18 -43.53 97.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.67 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.7 ttt -59.7 -36.55 76.75 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -57.39 -37.95 73.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 69.6 mt -59.84 -41.15 90.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.519 -0.738 . . . . 0.0 109.581 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -83.89 -45.19 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 111.623 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 42.3 m-70 -77.14 -47.08 21.34 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.047 . . . . 0.0 111.24 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -78.81 98.11 6.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.926 -1.109 . . . . 0.0 109.255 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.15 -36.34 83.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.232 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -47.38 84.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.166 -0.959 . . . . 0.0 110.335 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 61.1 tttm -65.93 -41.92 90.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.68 -38.01 88.69 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.002 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -46.14 72.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 0.0 109.752 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.9 mt -64.48 -46.37 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.78 -43.55 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -42.24 99.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.803 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.84 -40.22 94.56 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.41 -0.807 . . . . 0.0 108.882 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.31 -42.59 99.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.598 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.897 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.3 m -63.44 -45.83 89.1 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.336 -0.852 . . . . 0.0 108.868 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.28 -39.48 92.63 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.187 -0.946 . . . . 0.0 109.889 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m -62.72 -46.74 86.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 0.0 109.489 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 39.7 tp -67.05 -43.26 83.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.189 -0.944 . . . . 0.0 108.469 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.563 -0.711 . . . . 0.0 109.553 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' B' ' 150' ' ' LEU . 51.5 t-20 -63.26 -41.42 99.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.58 -39.92 92.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.085 -1.01 . . . . 0.0 110.026 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 121' ' ' LEU . 19.8 mmtm -64.43 -41.98 96.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.08 -1.013 . . . . 0.0 109.475 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 HD11 ' B' ' 150' ' ' LEU . 9.4 mp -67.06 -36.11 81.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.036 -1.04 . . . . 0.0 108.723 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.578 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.3 tttp -60.12 -42.28 94.42 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.9 mt-30 -61.64 -36.76 81.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.4 tp -58.08 -32.94 68.54 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 31.1 tttt -59.33 -40.49 86.48 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.688 -0.632 . . . . 0.0 110.24 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.495 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.4 m-20 -168.77 -23.24 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.229 -0.919 . . . . 0.0 110.583 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -50.05 156.41 2.17 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.55 140.91 84.14 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.791 2.327 . . . . 0.0 112.488 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.463 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.8 m-90 -105.85 137.0 44.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 108.922 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -154.82 173.46 16.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.955 -1.091 . . . . 0.0 110.421 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.1 t -55.4 -38.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.55 -42.42 74.64 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.103 -0.998 . . . . 0.0 108.75 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.583 HD13 ' OE1' ' A' ' 107' ' ' GLN . 51.7 tp -62.17 -38.35 88.72 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.304 -0.873 . . . . 0.0 109.016 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.2 tttt -58.14 -47.57 82.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.509 -0.745 . . . . 0.0 110.074 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -68.28 -38.29 81.55 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.472 -0.768 . . . . 0.0 110.04 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.1 m -61.47 -40.66 95.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.266 -0.897 . . . . 0.0 110.434 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.8 mt -62.28 -41.11 98.21 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.858 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.3 m95 -60.48 -39.05 86.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.386 -0.821 . . . . 0.0 109.07 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -42.51 90.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.385 -0.822 . . . . 0.0 109.415 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.2 m -60.93 -39.85 91.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.381 -0.824 . . . . 0.0 109.748 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.55 HG23 HG23 ' A' ' 151' ' ' ILE . 92.2 mt -57.79 -42.67 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -0.874 . . . . 0.0 109.944 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.16 -40.82 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.98 -38.91 90.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.865 . . . . 0.0 110.394 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' A' ' 151' ' ' ILE . 17.3 m-85 -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.9 m -62.11 -35.36 78.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.764 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 82.1 m -63.38 -44.8 93.7 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 110.065 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.567 HD11 ' OG1' ' A' ' 97' ' ' THR . 90.1 mt -58.97 -44.88 92.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.159 -0.963 . . . . 0.0 110.478 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 147' ' ' LEU . 84.0 mt -67.1 -41.76 85.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.0 -1.062 . . . . 0.0 110.002 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.595 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 5.3 t60 -70.53 -45.74 64.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.388 -0.82 . . . . 0.0 110.571 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.76 -34.42 75.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.177 -0.952 . . . . 0.0 111.132 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -141.38 53.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.869 -1.144 . . . . 0.0 110.621 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -37.46 87.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.016 -1.053 . . . . 0.0 108.963 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.77 -26.09 66.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.506 -0.747 . . . . 0.0 110.597 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -91.5 1.14 57.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.29 129.78 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.109 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -70.6 159.9 33.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.205 -0.935 . . . . 0.0 109.498 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -39.5 94.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -0.904 . . . . 0.0 109.524 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.3 m -62.71 -45.0 94.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m -63.75 -38.91 92.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 0.0 109.379 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.593 HG23 HD22 ' A' ' 132' ' ' LEU . 42.6 m -61.76 -39.81 92.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.385 -0.822 . . . . 0.0 109.488 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.79 -41.14 81.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.345 -0.847 . . . . 0.0 109.613 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.6 t -61.88 -41.67 98.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.342 -0.849 . . . . 0.0 109.334 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 132' ' ' LEU . 83.2 mt -64.65 -41.57 96.02 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.378 -0.826 . . . . 0.0 109.671 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.02 -36.5 79.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 20.7 tttp -61.77 -40.36 94.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -0.923 . . . . 0.0 109.082 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 150' ' ' ARG . 84.2 mtt-85 -62.34 -42.01 99.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.392 -0.818 . . . . 0.0 109.273 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 128' ' ' PHE . 79.2 mt -66.04 -42.73 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 108.938 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 5.8 mmtt -60.86 -41.16 95.37 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.634 -0.666 . . . . 0.0 109.841 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.672 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.1 t80 -57.08 -43.56 82.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.381 -0.824 . . . . 0.0 109.381 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 121' ' ' LEU . 2.6 m -64.42 -42.2 96.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.197 -0.939 . . . . 0.0 109.09 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -58.75 -44.01 90.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.358 -0.839 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.89 -50.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.176 -0.953 . . . . 0.0 110.658 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.815 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.1 m-85 -67.09 -36.08 81.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.238 -0.913 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.858 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.2 tp -59.96 -36.29 76.79 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 m -65.67 -43.24 89.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.52 -0.738 . . . . 0.0 110.051 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.474 ' NZ ' ' CZ ' ' A' ' 157' ' ' TYR . 50.0 mtmt -59.69 -37.78 79.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.171 -0.956 . . . . 0.0 109.492 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.9 mt -58.89 -35.12 72.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.039 -1.038 . . . . 0.0 108.233 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.565 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -65.11 -30.38 71.32 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.64 -0.663 . . . . 0.0 109.69 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' B' ' 171' ' ' LEU . 52.9 mttm -79.99 -15.99 56.09 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.055 -1.028 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.25 11.9 79.89 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.77 -28.66 60.84 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.475 -1.014 . . . . 0.0 110.039 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.93 131.32 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.011 . . . . 0.0 109.023 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.463 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.971 -1.461 . . . . 0.0 109.605 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' B' ' 130' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.51 ' N ' HG22 ' B' ' 128' ' ' ILE . 22.5 m120 -75.4 19.64 0.17 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.631 HD12 HG22 ' A' ' 78' ' ' VAL . 20.8 tt -65.64 -43.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.567 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -69.84 -41.72 74.55 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -69.95 -40.17 75.6 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.462 0.649 . . . . 0.0 110.366 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.7 tt . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.735 -178.803 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 74.4 mtm . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.632 0.73 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.519 ' N ' HD22 ' B' ' 141' ' ' LEU . 4.1 mm? -56.5 -33.67 66.22 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.843 -1.161 . . . . 0.0 108.36 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.86 -36.22 76.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.422 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.473 ' N ' HD22 ' B' ' 143' ' ' LEU . 4.4 mm? -58.89 -35.98 73.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 108.909 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.98 -31.24 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 119.196 -1.002 . . . . 0.0 108.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.7 -38.78 75.81 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 27.1 mt-30 -59.65 -36.18 75.89 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.62 -33.21 84.2 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.8 -39.35 73.97 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.273 . . . . 0.0 108.191 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.578 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.0 tt0 -60.78 -34.25 74.21 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 105' ' ' LEU . 6.7 tt -55.3 -43.48 74.85 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.23 -40.17 89.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.295 -0.878 . . . . 0.0 108.849 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 9.4 tm-20 -62.32 -37.9 87.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -64.3 -50.6 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 110.445 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.6 mm? -66.3 -33.26 75.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.84 97.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.333 -0.854 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.3 mtp -65.11 -40.7 94.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 109.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.82 -42.93 98.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 19.8 t-20 -177.49 107.42 0.06 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -57.25 -36.25 70.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.112 -0.993 . . . . 0.0 108.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -85.41 6.53 26.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.93 97.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.9 tp10 -124.28 152.63 42.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.507 -0.996 . . . . 0.0 108.939 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.634 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.29 -34.12 63.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 109.507 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . 0.408 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.5 m-20 -59.17 -33.77 71.32 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.32 -0.862 . . . . 0.0 109.34 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.76 -21.04 57.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -101.2 132.11 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.257 -0.902 . . . . 0.0 108.94 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.6 m -59.6 70.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.209 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 54.1 t0 -62.98 -36.61 84.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.84 77.2 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.168 -0.957 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -42.55 68.89 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.736 -1.228 . . . . 0.0 109.763 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.7 mt -63.19 -38.52 91.48 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 93.2 m-20 -61.1 -42.68 98.96 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.168 -0.958 . . . . 0.0 110.426 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.92 86.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.995 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.53 -37.06 84.19 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 110.281 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.481 HD11 HD23 ' A' ' 158' ' ' LEU . 18.9 tp -67.81 -35.09 78.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.921 -1.112 . . . . 0.0 110.495 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.0 m-20 -62.23 -40.64 96.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.943 -1.098 . . . . 0.0 109.347 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.68 67.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.07 -1.019 . . . . 0.0 108.476 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 162' ' ' ALA . 31.5 tp -64.73 -38.53 91.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.67 -41.64 77.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.698 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.71 -36.34 80.63 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.2 -0.938 . . . . 0.0 109.257 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.39 -47.19 74.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 110.31 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 27.9 m-20 -70.48 -37.86 74.3 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.3 -1.586 0 O-C-N 121.582 -0.699 . . . . 0.0 109.16 -179.666 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.53 -37.94 82.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 0.0 109.148 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.25 -39.48 92.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 109.418 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.37 97.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.89 -41.65 92.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 84.3 t -60.95 -40.03 84.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.232 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.74 -47.57 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -0.917 . . . . 0.0 109.146 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.8 78.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.883 . . . . 0.0 108.675 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.424 HG21 ' SG ' ' A' ' 123' ' ' CYS . 55.8 m -61.56 -38.4 87.36 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.45 81.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.271 -0.893 . . . . 0.0 108.597 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -60.8 -31.51 70.89 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.441 -0.787 . . . . 0.0 109.016 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.61 -40.51 92.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.419 -0.801 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 23' ' ' ILE . 62.7 m-85 -63.76 -37.71 88.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.459 -0.776 . . . . 0.0 109.632 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.92 -41.57 96.42 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.09 -1.007 . . . . 0.0 109.021 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.23 -30.83 69.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.447 -0.783 . . . . 0.0 109.191 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.53 -8.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.335 -0.853 . . . . 0.0 109.79 -179.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.06 5.16 62.61 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.004 -1.093 . . . . 0.0 110.453 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 20' ' ' LEU . 69.8 mt -96.33 63.52 2.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.381 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -32.85 80.55 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.72 -43.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.979 -1.307 . . . . 0.0 109.757 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.3 mm -67.33 -48.4 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.058 -1.026 . . . . 0.0 108.824 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.56 80.32 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.2 t80 -58.66 -49.39 77.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -1.093 . . . . 0.0 109.942 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.479 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 44.7 m-85 -67.25 -36.2 81.14 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.943 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.4 mt -63.83 -41.87 97.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 0.0 110.156 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.411 HE22 HG21 ' A' ' 55' ' ' THR . 95.7 mt-30 -61.03 -40.62 94.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.956 -1.09 . . . . 0.0 108.65 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.65 -38.54 89.63 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.72 ' O ' HD13 ' A' ' 34' ' ' LEU . 66.2 t80 -63.38 -43.73 96.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.552 -0.717 . . . . 0.0 110.469 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.79 92.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.147 -0.971 . . . . 0.0 110.24 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.36 -47.3 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 110.228 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -63.9 -31.57 72.8 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.377 -0.827 . . . . 0.0 109.931 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.4 mp -60.94 -46.85 89.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 80.6 mt -63.84 -47.04 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.19 -37.24 86.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.461 -0.774 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -68.17 -14.46 63.0 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.54 127.33 36.94 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.399 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -35.92 81.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -91.99 125.92 36.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.884 . . . . 0.0 110.026 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -132.05 142.53 49.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.386 -0.821 . . . . 0.0 109.387 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -109.49 157.37 19.05 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -52.13 -34.55 44.95 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.964 -1.085 . . . . 0.0 108.305 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.52 -42.8 82.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.376 -0.827 . . . . 0.0 110.02 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.4 mmm -75.36 -42.38 54.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.883 -1.136 . . . . 0.0 109.637 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.0 m -61.91 -44.95 95.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 109.54 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.55 77.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.75 -40.57 97.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.825 . . . . 0.0 109.689 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -65.3 -39.71 92.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 0.0 109.656 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -60.02 -45.95 91.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.363 -0.836 . . . . 0.0 110.504 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.44 -38.0 79.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.643 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.73 -36.7 85.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 83.1 mt -58.08 -40.02 80.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.05 -40.86 97.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.242 -0.911 . . . . 0.0 109.131 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.411 HG21 HE22 ' A' ' 28' ' ' GLN . 41.4 m -65.96 -44.16 85.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 110.036 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.75 -51.38 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.977 . . . . 0.0 109.43 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.87 -39.64 93.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.66 88.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.105 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.8 t80 -67.72 -48.8 65.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.369 -0.832 . . . . 0.0 109.729 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.0 tttt -63.84 -40.42 96.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.836 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.11 -33.78 76.18 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -59.05 -31.39 68.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.094 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 63' ' ' ILE . 75.5 mt -123.44 10.04 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.804 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.52 -37.75 61.41 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.64 3.6 64.38 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.31 -37.09 81.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.906 -1.349 . . . . 0.0 109.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.13 -29.44 1.11 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.1 -30.55 71.68 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.41 -0.807 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -43.7 80.32 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.176 -0.953 . . . . 0.0 108.451 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.27 -39.08 92.14 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 72' ' ' SER . 13.2 p -161.03 97.08 1.13 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -97.71 7.32 46.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 109.665 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -95.32 -75.92 0.51 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 110.117 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.7 p -67.37 -38.88 85.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 111.247 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 63' ' ' ILE . 37.2 tp -67.93 -34.84 77.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.516 -1.365 . . . . 0.0 109.739 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.2 t60 -59.8 -45.13 93.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.172 -0.955 . . . . 0.0 109.596 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.62 -42.56 95.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.295 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.466 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.7 ttt -58.28 -36.09 72.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.34 -32.55 71.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.582 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.2 m -56.93 -37.6 71.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.0 mt -60.36 -40.36 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.55 -0.719 . . . . 0.0 109.54 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.4 mt -85.88 -45.21 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.255 -0.903 . . . . 0.0 111.413 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.596 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.7 m-70 -74.37 -48.13 29.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.901 . . . . 0.0 111.069 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.73 98.46 9.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.0 mp0 -64.49 -35.12 79.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.931 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.8 tt0 -60.53 -47.7 85.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.171 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.428 ' CE ' HD13 ' B' ' 130' ' ' ILE . 44.3 tttp -67.07 -41.86 85.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.039 -1.038 . . . . 0.0 108.95 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.46 -37.82 87.39 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -45.75 70.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.583 -0.698 . . . . 0.0 109.376 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.32 -45.69 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.542 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.38 -44.61 96.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.43 -42.95 99.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.88 -39.7 94.79 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.29 -44.1 97.3 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.586 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -48.27 71.09 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 59.3 m -62.27 -44.4 96.62 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.489 -0.757 . . . . 0.0 109.398 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.98 -39.62 94.54 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.183 -0.948 . . . . 0.0 109.716 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -63.25 -46.49 86.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.88 -46.75 77.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.929 . . . . 0.0 108.962 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.805 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 32.7 t80 -63.27 -38.63 91.93 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.497 -0.752 . . . . 0.0 109.754 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.3 -38.73 80.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.27 -39.52 92.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 0.0 109.777 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.594 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 25.2 mmtt -63.09 -45.63 91.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.142 -0.974 . . . . 0.0 109.583 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 62.2 mt -68.04 -36.74 80.4 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.192 -0.942 . . . . 0.0 108.505 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 27.2 tttp -60.83 -45.85 92.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.7 mt-30 -63.07 -36.79 84.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 157' ' ' TYR . 7.9 tp -58.34 -33.0 69.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB2' HG13 ' B' ' 153' ' ' VAL . 61.2 tttt -59.09 -40.77 86.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.71 -0.619 . . . . 0.0 109.975 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.2 m-20 -168.48 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.216 -0.928 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -63.34 157.82 39.97 Favored Glycine 0 N--CA 1.494 2.548 0 O-C-N 120.652 -1.28 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.82 138.69 70.26 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.893 2.395 . . . . 0.0 112.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.441 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.4 m-90 -106.15 136.06 46.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.357 -0.839 . . . . 0.0 109.069 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -156.11 172.63 18.1 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.042 -1.037 . . . . 0.0 110.335 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -55.69 -38.31 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.698 -0.626 . . . . 0.0 109.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.4 ttp -54.83 -42.42 71.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.838 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 tp -62.54 -35.73 80.36 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.28 -0.887 . . . . 0.0 108.984 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 77.5 tttt -58.01 -47.41 83.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 110.021 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -67.81 -39.52 83.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 109.895 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.594 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 7.6 t -62.78 -40.01 95.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 109.812 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.227 -0.921 . . . . 0.0 109.584 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.856 ' NE1' HD21 ' A' ' 158' ' ' LEU . 44.2 m95 -61.24 -37.44 83.08 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.214 -0.929 . . . . 0.0 109.076 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' THR . 0.1 OUTLIER -66.67 -40.19 88.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.358 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.01 -39.58 95.2 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.858 . . . . 0.0 109.638 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.428 HG23 HG23 ' A' ' 151' ' ' ILE . 97.5 mt -58.2 -42.36 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.84 -40.53 93.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.53 -39.68 94.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 110.349 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 151' ' ' ILE . 11.4 m-85 -65.59 -42.92 91.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 110.301 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.7 p -63.74 -32.56 74.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.046 -1.034 . . . . 0.0 109.797 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 91.2 m -69.08 -43.03 75.39 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.6 mt -58.91 -44.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.192 -0.943 . . . . 0.0 110.076 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 147' ' ' LEU . 88.5 mt -69.84 -44.78 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.016 -1.052 . . . . 0.0 109.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.584 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.6 t60 -68.39 -43.75 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.541 -0.724 . . . . 0.0 111.022 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.0 mt -60.87 -33.13 72.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.228 -0.92 . . . . 0.0 111.565 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -140.4 60.23 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.78 -1.2 . . . . 0.0 110.944 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -62.01 -38.22 87.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.907 -1.121 . . . . 0.0 109.206 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.21 -27.13 66.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.493 -0.754 . . . . 0.0 111.144 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.444 HD21 ' HG3' ' A' ' 87' ' ' GLU . 49.7 t30 -91.64 1.52 57.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.75 -1.219 . . . . 0.0 110.389 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 132' ' ' LEU . 78.3 mt -118.35 125.97 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.254 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m -70.93 159.93 33.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.351 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -64.85 -38.5 91.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 109.512 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.4 m -65.03 -45.42 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.1 p -65.75 -33.83 76.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -0.85 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.522 HG23 HD22 ' A' ' 132' ' ' LEU . 50.6 m -63.33 -40.77 98.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 109.296 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -58.0 -39.41 78.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.368 -0.832 . . . . 0.0 109.592 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -61.9 -41.78 98.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.282 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.717 HD12 HD21 ' A' ' 132' ' ' LEU . 87.9 mt -67.19 -41.06 86.49 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.721 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.89 -36.58 79.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.401 -0.812 . . . . 0.0 109.394 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -61.63 -40.79 96.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.166 -0.958 . . . . 0.0 108.959 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.562 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 87.3 mtt-85 -62.27 -42.61 99.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 108.988 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.3 mt -65.35 -44.78 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.413 -0.805 . . . . 0.0 108.878 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.592 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 8.0 mmtt -61.21 -40.34 93.61 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 49.5 t80 -57.69 -43.31 85.02 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 2.8 m -64.36 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.338 -0.851 . . . . 0.0 108.924 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.81 -43.99 90.71 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.442 -0.786 . . . . 0.0 109.779 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.87 -50.36 49.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.234 -0.916 . . . . 0.0 110.661 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.148 -0.97 . . . . 0.0 110.498 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.856 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -59.84 -38.53 82.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.139 -0.976 . . . . 0.0 108.485 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.1 t -67.18 -45.32 77.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.363 -0.836 . . . . 0.0 109.593 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.72 -37.79 82.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.527 -0.733 . . . . 0.0 109.531 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -64.27 -42.1 96.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.735 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.589 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.07 -24.31 61.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.378 -0.826 . . . . 0.0 109.669 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.565 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 14.3 mtpt -83.65 -4.48 58.62 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.344 -0.848 . . . . 0.0 109.788 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.25 11.77 85.0 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.97 -29.05 60.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.191 -1.182 . . . . 0.0 109.831 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.8 mm -107.15 132.15 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.075 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 CA-C-O 118.041 -1.422 . . . . 0.0 109.553 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.608 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.608 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 11.9 m120 -75.28 19.71 0.16 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -63.43 -43.71 98.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.566 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.1 m-20 -75.87 -42.32 49.68 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.742 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.429 ' HD2' HD22 ' B' ' 129' ' ' ASN . 56.6 mttm -63.4 -39.32 94.18 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.381 0.61 . . . . 0.0 109.894 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . 0.404 HD21 ' CE ' ' A' ' 79' ' ' MET . 1.1 tp . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 109.581 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.818 0.818 . . . . 0.0 109.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.552 ' N ' HD22 ' B' ' 141' ' ' LEU . 4.0 mm? -60.58 -33.18 72.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 108.463 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.07 -36.45 75.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 3.0 mm? -58.98 -38.26 78.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 46.7 mt -68.54 -32.17 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.53 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.67 -38.1 71.74 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.26 -36.35 75.34 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.26 81.05 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.82 -39.61 71.63 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.884 -1.362 . . . . 0.0 107.885 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 72.0 tt0 -61.53 -33.48 73.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.599 ' CG ' HD12 ' A' ' 105' ' ' LEU . 7.2 tt -54.75 -44.5 73.68 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.88 -39.83 93.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.25 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 1.5 tm-20 -61.82 -39.39 91.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.447 -0.783 . . . . 0.0 109.835 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.501 HG13 ' HB2' ' A' ' 109' ' ' LYS . 40.1 t -63.54 -50.36 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.027 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.7 mm? -66.86 -34.48 77.89 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.155 -0.965 . . . . 0.0 109.425 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.54 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -66.38 -43.36 86.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.215 -0.928 . . . . 0.0 109.753 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.56 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 53.3 mtt -68.37 -39.94 81.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.0 109.916 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.93 -42.4 98.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.406 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 16.4 t-20 -176.16 102.75 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 24.7 m120 -57.87 -35.72 71.36 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.099 -1.0 . . . . 0.0 109.122 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 42.7 p -84.4 3.96 33.66 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . 0.586 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.77 97.79 0.06 OUTLIER Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.5 tp10 -125.03 151.97 44.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.608 -0.936 . . . . 0.0 109.138 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.646 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.31 -35.25 67.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.14 -0.975 . . . . 0.0 109.552 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . 0.412 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.8 m-20 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.9 -20.64 57.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.636 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.2 mt -102.93 132.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.229 -0.92 . . . . 0.0 108.933 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 70.8 m -59.02 71.76 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.444 -0.785 . . . . 0.0 110.251 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.5 t0 -65.4 -38.88 91.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.89 76.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.045 -1.035 . . . . 0.0 111.457 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.31 -43.11 67.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.873 -1.142 . . . . 0.0 109.812 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.21 -38.04 89.59 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.57 -0.706 . . . . 0.0 110.231 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.592 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.4 m-20 -60.32 -43.11 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.125 -0.984 . . . . 0.0 110.545 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.44 79.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.091 -1.006 . . . . 0.0 109.878 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.565 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 95.3 mt-10 -64.66 -36.33 83.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.527 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.39 -35.57 80.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.918 -1.114 . . . . 0.0 110.585 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.5 m-20 -61.38 -36.99 81.78 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.948 -1.095 . . . . 0.0 108.349 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.34 -43.26 70.61 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.589 HD13 ' CB ' ' A' ' 162' ' ' ALA . 98.1 mt -66.01 -35.39 80.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.391 -0.818 . . . . 0.0 109.69 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.59 -40.02 71.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.987 -1.071 . . . . 0.0 108.261 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.68 -33.88 74.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.569 -0.707 . . . . 0.0 109.113 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.65 -40.93 96.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.768 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -93.53 -17.59 23.2 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.045 -1.034 . . . . 0.0 110.821 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.3 -1.558 0 O-C-N 121.08 -1.013 . . . . 0.0 109.513 -179.394 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.82 -38.66 86.19 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.24 -0.913 . . . . 0.0 109.278 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.71 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.162 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.58 90.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.22 -0.925 . . . . 0.0 108.912 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.8 -46.29 89.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.381 -0.824 . . . . 0.0 108.876 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.448 HG11 ' HD2' ' A' ' 30' ' ' TYR . 61.8 t -61.79 -39.99 85.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.46 -45.88 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.75 81.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 108.89 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -62.49 -38.82 91.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.462 -0.774 . . . . 0.0 109.214 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.23 91.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.115 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -60.84 -31.69 71.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.354 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -60.67 -41.79 95.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 0.0 109.326 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 23' ' ' ILE . 75.8 m-85 -64.02 -39.16 93.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.311 -0.868 . . . . 0.0 109.785 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.13 -39.74 91.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.026 -1.046 . . . . 0.0 108.984 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -61.02 -31.81 71.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.473 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG11 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.56 -9.48 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.912 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 7.98 61.22 Favored Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.941 -1.123 . . . . 0.0 110.548 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 HG11 ' A' ' 18' ' ' VAL . 38.6 mt -95.8 65.99 2.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.332 . . . . 0.0 109.383 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.35 -33.86 86.12 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.84 -43.62 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.025 -1.28 . . . . 0.0 109.607 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.3 mm -68.24 -47.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.053 -1.029 . . . . 0.0 108.825 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.62 -32.42 78.38 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.1 t80 -58.55 -48.52 80.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.389 -1.065 . . . . 0.0 109.991 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 33.0 m-85 -67.19 -36.31 81.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.161 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.59 -41.36 98.36 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.035 -1.041 . . . . 0.0 109.949 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.35 -39.68 93.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.064 -1.022 . . . . 0.0 109.109 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.25 -39.55 94.19 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.4 -0.812 . . . . 0.0 109.116 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.739 ' CE1' HD11 ' A' ' 34' ' ' LEU . 19.5 t80 -63.21 -42.54 99.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.458 -0.776 . . . . 0.0 110.192 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.73 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.241 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.41 -46.34 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.124 -0.985 . . . . 0.0 110.446 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.056 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -60.63 -47.74 84.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.126 -0.984 . . . . 0.0 109.603 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 87.0 mt -62.26 -43.86 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.34 -33.35 75.52 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.491 -0.756 . . . . 0.0 110.154 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.0 p -67.11 -16.71 64.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -89.26 122.25 32.33 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.563 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.52 -35.54 80.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 109.691 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -86.02 125.72 33.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.96 142.71 44.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.363 -0.835 . . . . 0.0 109.633 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.7 m -114.11 159.77 19.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.39 54.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.828 -1.17 . . . . 0.0 108.487 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.63 -44.94 66.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.824 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.476 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.3 mtp -68.98 -40.8 78.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.896 -1.128 . . . . 0.0 109.82 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.4 m -62.4 -41.98 99.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.326 -0.859 . . . . 0.0 109.671 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.23 86.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 109.77 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.48 -42.29 99.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 0.0 109.509 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -67.37 -41.95 84.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.436 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.03 -45.78 91.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.31 -38.43 74.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.597 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 56' ' ' ILE . 95.6 mt -64.74 -37.17 86.7 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.85 -39.46 81.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.994 -1.066 . . . . 0.0 109.206 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -61.69 -42.22 98.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.31 -0.869 . . . . 0.0 109.227 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.4 m -64.88 -43.05 94.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.885 . . . . 0.0 109.684 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 52' ' ' LEU . 1.4 mp -56.48 -51.11 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.16 -38.01 87.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.27 -0.894 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.05 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.152 -0.967 . . . . 0.0 109.058 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.98 -48.83 56.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.548 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 64' ' ' GLY . 56.9 tttt -64.01 -39.49 94.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.391 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.9 -34.01 76.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.93 . . . . 0.0 108.586 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.22 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' ILE . 74.5 mt -123.77 13.38 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.664 -0.648 . . . . 0.0 109.749 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.96 -33.43 13.46 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.26 17.73 45.39 Favored Glycine 0 N--CA 1.489 2.174 0 O-C-N 121.202 -1.175 . . . . 0.0 110.527 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.12 -88.41 0.16 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.9 -1.353 . . . . 0.0 108.557 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.7 m -68.93 -34.02 74.69 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.93 -31.25 72.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.627 -0.67 . . . . 0.0 109.364 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -58.02 -37.94 75.27 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.203 -0.936 . . . . 0.0 108.86 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.03 -42.35 98.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -68.84 -40.26 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.539 -0.725 . . . . 0.0 109.191 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 t -165.83 98.97 0.66 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -100.37 7.88 44.01 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.299 -0.875 . . . . 0.0 109.462 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -95.93 -76.65 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.197 -0.94 . . . . 0.0 110.08 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -67.5 -39.33 85.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.34 -0.85 . . . . 0.0 111.259 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD11 HG12 ' A' ' 63' ' ' ILE . 35.0 tp -69.1 -34.91 75.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.663 -1.273 . . . . 0.0 109.909 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.583 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -59.81 -45.07 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.191 -0.943 . . . . 0.0 109.55 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.636 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -62.81 -41.0 90.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.479 ' SD ' HD21 ' B' ' 133' ' ' LEU . 9.9 ttt -58.41 -36.07 73.01 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.04 -32.74 71.19 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 178.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -56.61 -37.46 70.72 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.58 -41.32 94.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.4 mt -85.56 -45.33 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.145 -0.972 . . . . 0.0 111.265 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.9 m-70 -72.33 -46.14 56.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 111.131 -178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -82.37 101.45 10.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.885 -1.135 . . . . 0.0 109.583 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -36.72 85.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 138' ' ' ASN . 85.0 tt0 -62.82 -47.66 82.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.2 -0.937 . . . . 0.0 110.41 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -65.87 -41.89 91.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.116 -0.99 . . . . 0.0 109.389 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.48 -37.76 88.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.0 108.759 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -44.83 67.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.426 -0.796 . . . . 0.0 109.592 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.98 -42.76 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.99 -43.93 90.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.058 -1.026 . . . . 0.0 109.598 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.58 -41.72 99.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.006 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.37 -42.71 98.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.451 -0.781 . . . . 0.0 109.061 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' B' ' 140' ' ' MET . 94.2 m-20 -63.36 -40.5 97.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.237 -0.915 . . . . 0.0 109.341 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -65.09 -49.75 68.77 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.007 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.478 ' OG1' HD11 ' A' ' 131' ' ' ILE . 72.9 m -63.46 -45.12 92.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.0 108.961 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.0 mmm -62.69 -39.36 93.76 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 109.352 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -63.32 -46.74 85.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.309 -0.869 . . . . 0.0 109.075 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.04 -45.03 78.68 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.789 ' CE2' HD11 ' A' ' 105' ' ' LEU . 64.6 t80 -61.19 -43.36 99.01 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.581 -0.7 . . . . 0.0 109.351 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.84 -37.73 85.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 0.0 109.796 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.25 -41.93 98.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 110.115 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -64.67 -45.33 87.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 109.458 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TYR . 49.8 mt -65.19 -36.86 85.52 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.184 -0.947 . . . . 0.0 108.547 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.9 tttp -61.62 -46.23 90.72 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -63.38 -36.72 84.65 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 157' ' ' TYR . 6.4 tp -57.94 -32.91 68.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.651 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.3 tttt -58.83 -39.51 81.45 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.726 -0.609 . . . . 0.0 110.046 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.0 m-20 -167.49 -18.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.278 -0.889 . . . . 0.0 110.632 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -54.17 155.34 7.55 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.49 140.22 74.69 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.778 2.319 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.473 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.2 m-90 -106.09 135.8 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -155.52 172.57 18.03 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.01 -1.056 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.48 -39.01 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.85 -42.69 80.14 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.069 -1.02 . . . . 0.0 108.778 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.39 -36.86 83.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.824 . . . . 0.0 108.917 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 87.0 tttt -57.02 -47.48 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.481 -0.762 . . . . 0.0 109.94 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -65.4 -38.61 90.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.485 -0.759 . . . . 0.0 110.002 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.6 p -65.34 -35.47 81.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.192 -0.943 . . . . 0.0 110.1 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 121' ' ' LEU . 87.1 mt -62.37 -39.16 92.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.093 -1.004 . . . . 0.0 109.134 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.891 ' NE1' HD21 ' A' ' 158' ' ' LEU . 56.9 m95 -62.62 -38.42 90.14 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -41.92 99.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.427 -0.796 . . . . 0.0 109.69 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 m -61.93 -39.72 93.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -58.99 -42.53 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.865 . . . . 0.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -62.32 -41.78 98.83 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.195 -0.941 . . . . 0.0 110.501 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.18 -39.39 89.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 0.0 110.663 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.613 ' HB3' HD11 ' A' ' 151' ' ' ILE . 20.0 m-85 -63.73 -42.64 97.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.967 -1.083 . . . . 0.0 110.357 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -62.44 -36.71 83.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.01 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.74 -41.19 92.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.856 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.0 mt -59.42 -44.34 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.045 -1.034 . . . . 0.0 110.431 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 147' ' ' LEU . 81.2 mt -67.03 -41.78 86.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.067 . . . . 0.0 110.019 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.519 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.8 t60 -70.4 -45.92 65.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.493 HD12 ' SG ' ' A' ' 130' ' ' CYS . 91.1 mt -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.213 -0.93 . . . . 0.0 111.395 -178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -144.39 54.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 110.716 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -38.75 92.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.899 -1.125 . . . . 0.0 109.128 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.42 -24.41 65.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.432 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.3 t30 -91.43 1.69 56.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.917 -1.114 . . . . 0.0 110.098 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.02 131.96 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.031 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.31 160.02 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.26 -38.04 89.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.0 m -63.2 -45.06 93.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.373 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 m -63.47 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 0.0 109.338 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 m -61.29 -39.97 92.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.75 -41.87 82.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 0.0 109.531 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.5 m -62.21 -40.51 96.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.235 -0.915 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.489 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -65.03 -41.57 95.15 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.432 -0.792 . . . . 0.0 109.708 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -62.25 -41.41 98.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 108.98 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.84 -42.71 99.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.306 -0.872 . . . . 0.0 109.081 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -66.0 -43.18 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.18 -38.39 86.34 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.611 -0.681 . . . . 0.0 109.764 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.687 ' OH ' HD11 ' B' ' 154' ' ' LEU . 17.1 t80 -60.27 -43.99 95.72 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.419 -0.801 . . . . 0.0 108.932 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -43.3 82.34 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.307 -0.871 . . . . 0.0 108.887 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.12 -44.17 92.0 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.372 -0.83 . . . . 0.0 109.551 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.912 HG21 HD12 ' B' ' 166' ' ' ILE . 89.7 mt -70.04 -48.72 61.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.943 -1.098 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.628 ' CE2' HD11 ' A' ' 108' ' ' LEU . 1.4 m-85 -65.03 -35.73 82.12 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 110.73 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 1.055 HD23 HD11 ' B' ' 175' ' ' LEU . 30.7 tp -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.611 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.36 -39.72 74.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.261 -0.9 . . . . 0.0 109.411 179.131 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.46 -39.05 86.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.11 -36.89 75.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.182 -0.948 . . . . 0.0 108.543 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' B' ' 178' ' ' LEU . . . -64.69 -29.78 70.78 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.499 -0.751 . . . . 0.0 109.643 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -78.43 -16.15 57.89 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.239 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.05 11.12 79.43 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -74.68 -28.44 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.461 -1.023 . . . . 0.0 109.775 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 113' ' ' TRP . 17.4 mm -102.44 132.36 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.118 -0.989 . . . . 0.0 109.065 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.473 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 117.947 -1.474 . . . . 0.0 109.614 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.4 m120 -74.38 20.05 0.12 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.636 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -63.64 -39.71 86.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.514 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -72.22 -40.55 67.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.427 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -73.63 -37.4 65.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 109.704 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' ' 79' ' ' MET . 3.6 tp . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.476 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.0 mtm . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.829 0.823 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 141' ' ' LEU . 93.2 mt -58.28 -33.66 69.68 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 109.073 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.07 -36.19 74.64 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 39.4 mt -58.77 -32.81 69.64 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.94 -30.28 47.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 C-N-CA 119.144 -1.023 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.73 -37.15 78.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.46 -35.66 74.5 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.32 83.58 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -55.76 -38.53 69.97 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.8 tt0 -60.35 -33.63 72.7 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.9 tt -54.9 -44.5 74.19 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.72 -40.53 95.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.382 -0.824 . . . . 0.0 109.246 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.2 tm-20 -62.64 -37.65 87.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.528 -0.732 . . . . 0.0 109.611 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.68 -50.21 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 110.437 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.687 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.9 mm? -66.16 -33.39 75.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.136 -0.977 . . . . 0.0 109.309 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.02 99.0 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.2 -0.938 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.651 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.0 mtp -66.87 -39.39 87.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.612 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.522 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.8 t-20 -60.84 -39.69 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -0.901 . . . . 0.0 109.509 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.522 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 0.8 OUTLIER 169.5 106.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.409 -0.807 . . . . 0.0 109.17 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.231 -0.918 . . . . 0.0 108.974 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.8 p -82.13 1.89 34.01 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.51 98.23 0.07 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -125.88 153.76 43.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.517 -0.99 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.604 ' N ' HD12 ' B' ' 163' ' ' LEU . 8.3 mp -54.34 -35.46 62.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.47 -29.72 70.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.8 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.93 -21.78 58.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.103 -0.998 . . . . 0.0 110.182 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.912 HD12 HG21 ' A' ' 156' ' ' ILE . 4.4 pt -109.65 139.56 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.464 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . 0.712 ' O ' HD12 ' B' ' 171' ' ' LEU . 29.0 t -60.35 80.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.396 -0.815 . . . . 0.0 110.163 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.487 ' OD1' ' OD2' ' B' ' 172' ' ' ASP . 46.1 t0 -62.6 -36.53 83.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 110.266 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.6 79.19 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.114 -0.991 . . . . 0.0 111.155 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -71.22 -45.19 63.83 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.854 -1.154 . . . . 0.0 109.389 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 156' ' ' ILE . 12.2 mt -60.93 -38.85 87.23 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.752 -0.592 . . . . 0.0 109.934 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -67.46 -44.1 79.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 110.347 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.85 84.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.64 -32.82 74.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 1.055 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -63.15 -43.37 98.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 0.0 110.671 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.53 -40.6 97.45 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.01 -1.056 . . . . 0.0 109.543 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.18 67.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 162' ' ' ALA . 88.5 mt -65.38 -34.86 79.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.289 -0.882 . . . . 0.0 110.079 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.543 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.84 -43.48 85.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.072 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.33 -37.31 82.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.388 -0.82 . . . . 0.0 109.461 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.4 tm-20 -69.13 -45.61 69.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 110.08 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.575 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.2 m-20 -72.24 -35.53 68.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.3 -1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.242 -179.378 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.8 m120 -61.02 -36.74 80.31 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.262 -0.899 . . . . 0.0 109.104 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.17 -39.62 93.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.487 -0.758 . . . . 0.0 109.428 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.67 75.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.939 . . . . 0.0 109.601 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -59.91 -39.14 84.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 4' ' ' ASN . 65.7 t -60.27 -41.84 88.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.36 -46.38 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.0 109.308 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.77 83.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 108.862 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -61.43 -38.87 88.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.457 -0.777 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.94 84.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.223 -0.923 . . . . 0.0 108.734 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -61.46 -32.21 72.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.366 -0.834 . . . . 0.0 109.272 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.64 -41.23 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -63.69 -37.06 85.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.337 -0.852 . . . . 0.0 109.672 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.99 -42.15 97.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.065 -1.022 . . . . 0.0 108.889 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.72 -30.28 69.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.069 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.36 -10.57 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.51 -0.744 . . . . 0.0 109.723 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.13 4.82 62.73 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' H ' HG12 ' A' ' 18' ' ' VAL . 78.2 mt -95.96 55.3 1.57 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.068 -1.254 . . . . 0.0 109.237 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.72 61.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.453 HD11 ' CE ' ' A' ' 79' ' ' MET . 5.4 mm -57.64 -43.14 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.02 -1.283 . . . . 0.0 109.37 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.45 -48.03 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.985 -1.072 . . . . 0.0 108.697 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.55 -32.2 77.31 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 83.2 t80 -58.32 -47.98 81.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.357 -1.084 . . . . 0.0 109.769 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 36.7 m-85 -67.42 -36.46 81.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.17 -0.956 . . . . 0.0 110.029 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.89 -41.31 99.38 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.068 -1.02 . . . . 0.0 110.02 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.437 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -62.23 -40.7 97.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 109.012 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.34 -40.36 89.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.371 -0.831 . . . . 0.0 109.368 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 34' ' ' LEU . 10.2 t80 -66.28 -44.92 82.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 0.0 110.316 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.65 85.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.083 -1.011 . . . . 0.0 109.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 t -61.55 -48.75 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.571 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -62.76 -31.21 72.12 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 5' ' ' ALA . 1.3 tp -60.6 -48.05 83.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.465 -0.772 . . . . 0.0 109.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.07 -43.13 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -0.881 . . . . 0.0 109.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.89 -38.52 91.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.365 -0.835 . . . . 0.0 109.603 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 m -78.19 1.44 21.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.413 -0.804 . . . . 0.0 109.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.06 125.71 39.9 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.261 -0.9 . . . . 0.0 109.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.64 -37.1 85.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.896 . . . . 0.0 109.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.09 125.7 34.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.918 . . . . 0.0 110.084 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -139.88 140.96 36.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.342 -0.849 . . . . 0.0 109.576 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 86.0 p -114.12 161.51 17.67 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -52.91 -36.79 59.98 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 108.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -43.1 75.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.221 -0.924 . . . . 0.0 110.129 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.4 mtp -69.82 -41.46 74.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.923 -1.11 . . . . 0.0 109.762 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.4 m -63.49 -43.88 95.98 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.56 -34.63 76.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.444 -0.785 . . . . 0.0 109.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.34 -40.12 95.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.691 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.61 91.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.118 -0.989 . . . . 0.0 109.559 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -61.43 -45.71 93.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.8 . . . . 0.0 110.459 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.57 -38.0 74.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -63.7 -37.0 85.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.0 109.847 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -58.46 -39.48 80.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.939 -1.101 . . . . 0.0 109.244 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.84 -42.18 98.73 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.437 HG21 HE22 ' A' ' 28' ' ' GLN . 43.3 m -66.52 -46.18 77.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -0.874 . . . . 0.0 109.768 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.09 -47.55 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.426 -0.796 . . . . 0.0 109.686 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.68 -38.74 92.02 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.062 -1.024 . . . . 0.0 109.135 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.3 76.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.33 -0.856 . . . . 0.0 108.841 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.3 t80 -65.42 -48.84 71.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.696 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.7 tttt -64.9 -40.45 95.11 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.061 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.06 -33.77 76.15 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.67 66.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.671 ' O ' HG22 ' A' ' 63' ' ' ILE . 75.5 mt -125.0 8.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.532 -0.73 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.2 -37.71 31.4 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.31 0.18 63.35 Favored Glycine 0 N--CA 1.489 2.211 0 O-C-N 121.297 -1.119 . . . . 0.0 110.563 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.73 -37.92 80.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.884 -1.362 . . . . 0.0 108.893 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.54 -29.09 0.7 Allowed 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.31 -31.52 72.14 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.65 -36.29 82.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.391 -0.818 . . . . 0.0 108.918 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.88 -37.69 66.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.908 . . . . 0.0 108.874 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.47 -40.37 86.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.38 -0.825 . . . . 0.0 109.334 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -129.61 -63.2 0.94 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' ALA . 1.2 t0 72.02 -23.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 72' ' ' SER . 72.9 mttt -90.04 -80.24 0.32 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.108 -0.995 . . . . 0.0 109.656 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.1 p -67.64 -33.02 74.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 69' ' ' ALA . 40.8 tp -68.15 -37.62 81.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -61.1 -45.84 93.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.168 -0.957 . . . . 0.0 109.89 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.775 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.12 -40.15 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.066 -1.021 . . . . 0.0 108.68 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.453 ' CE ' HD11 ' A' ' 22' ' ' ILE . 11.3 ttt -57.88 -36.52 72.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.23 -32.47 71.16 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.67 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 28.0 m -56.85 -38.11 72.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 74.7 mt -60.23 -40.26 89.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.494 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 25' ' ' TYR . 92.5 mt -86.16 -45.32 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.126 -0.984 . . . . 0.0 111.44 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.56 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 92.1 m-70 -74.39 -48.13 29.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 0.0 111.235 -178.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -79.04 99.59 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.906 -1.121 . . . . 0.0 109.515 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.436 -0.79 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.58 -47.5 83.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.967 . . . . 0.0 110.175 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HE2' HD13 ' B' ' 130' ' ' ILE . 51.9 tttp -65.64 -43.2 90.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.104 -0.997 . . . . 0.0 109.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.92 -38.01 89.49 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.693 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.76 -45.98 74.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.612 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.73 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.572 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.64 -43.04 94.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.984 . . . . 0.0 109.702 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 tpt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.181 -0.949 . . . . 0.0 108.815 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.79 -43.93 91.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.98 -40.99 99.4 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.087 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.28 -50.07 64.96 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.475 ' OG1' HD11 ' A' ' 131' ' ' ILE . 56.8 m -62.26 -43.64 98.37 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.445 -0.784 . . . . 0.0 108.931 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 83.9 mmm -62.52 -38.34 89.56 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.282 -0.886 . . . . 0.0 109.614 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -63.82 -47.28 81.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.4 tp -67.41 -41.46 84.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.635 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 44.3 t80 -62.36 -41.85 98.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.644 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.0 t-20 -62.23 -39.66 93.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.188 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.173 -0.954 . . . . 0.0 109.928 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -62.58 -45.71 91.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.77 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.963 HD12 HD11 ' B' ' 150' ' ' LEU . 30.5 mt -70.81 -35.41 72.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.239 -0.913 . . . . 0.0 108.556 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.555 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.3 tttp -59.37 -43.45 92.88 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.5 mt-30 -65.14 -36.47 84.35 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.9 tp -58.64 -33.33 69.95 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 66.6 tttt -59.17 -39.07 81.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.71 -0.619 . . . . 0.0 110.135 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.5 m-20 -167.85 -20.43 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.187 -0.946 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.71 156.53 7.46 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.74 141.54 85.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.444 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.6 m-90 -106.1 136.64 45.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 108.913 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.5 p30 -155.21 172.54 18.0 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.963 -1.086 . . . . 0.0 110.401 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.53 HG12 ' NH1' ' A' ' 119' ' ' ARG . 72.5 t -55.55 -39.27 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.0 ttp -56.44 -42.24 77.8 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.901 -1.124 . . . . 0.0 108.423 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.9 tp -62.2 -35.37 78.66 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.37 -0.831 . . . . 0.0 109.036 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.483 ' HE3' HD21 ' B' ' 178' ' ' LEU . 81.4 tttt -57.2 -47.17 81.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.473 -0.767 . . . . 0.0 109.867 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.53 ' NH1' HG12 ' A' ' 115' ' ' VAL . 75.7 mtt85 -67.81 -39.04 84.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.437 -0.789 . . . . 0.0 109.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -60.76 -40.27 91.89 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.308 -0.87 . . . . 0.0 109.982 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -41.04 99.28 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.158 -0.964 . . . . 0.0 109.22 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.863 ' NE1' HD21 ' A' ' 158' ' ' LEU . 48.4 m95 -64.18 -37.72 88.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.11 98.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.4 -0.812 . . . . 0.0 109.899 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.37 -39.63 93.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.295 -0.878 . . . . 0.0 109.69 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.56 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -57.94 -42.16 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -40.88 97.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 110.091 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.86 -40.0 93.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.87 . . . . 0.0 110.41 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.732 ' HB3' HD11 ' A' ' 151' ' ' ILE . 29.3 m-85 -65.25 -42.58 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.008 -1.057 . . . . 0.0 110.329 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -64.42 -31.9 73.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.063 -1.023 . . . . 0.0 109.755 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -69.13 -41.99 76.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.252 -0.905 . . . . 0.0 109.749 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.577 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.4 mt -59.28 -42.64 87.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 110.243 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 147' ' ' LEU . 82.3 mt -68.46 -45.42 72.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 110.134 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.571 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.2 t60 -68.23 -41.9 80.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.921 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 134' ' ' LEU . 81.9 mt -61.12 -31.58 71.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 111.453 -178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -143.33 59.3 1.4 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.69 -1.256 . . . . 0.0 111.266 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -62.19 -38.69 90.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.904 -1.122 . . . . 0.0 109.157 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.66 -28.7 68.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.115 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.693 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 12.8 t30 -91.82 -0.81 57.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.77 -1.206 . . . . 0.0 110.387 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.6 mt -118.13 127.31 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.135 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.2 m -70.6 160.02 33.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.45 -38.72 92.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.7 m -64.97 -44.91 87.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -38.72 92.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.386 -0.821 . . . . 0.0 109.42 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.785 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.64 -39.46 91.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.796 . . . . 0.0 109.412 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.95 -40.62 80.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.348 -0.845 . . . . 0.0 109.953 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.8 m -61.43 -40.52 94.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.186 -0.946 . . . . 0.0 109.415 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 132' ' ' LEU . 85.0 mt -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.297 -0.877 . . . . 0.0 109.585 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.68 -36.67 79.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.436 -0.79 . . . . 0.0 109.453 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 17.8 tttp -61.91 -40.54 95.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 108.987 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.66 -42.34 98.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.877 . . . . 0.0 109.115 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.4 mt -66.32 -42.01 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.07 -38.82 87.56 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.612 -0.68 . . . . 0.0 109.964 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.814 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.5 t80 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.0 108.909 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.98 -40.37 91.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.837 . . . . 0.0 108.753 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -58.92 -43.79 91.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.483 -0.761 . . . . 0.0 109.668 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.64 -50.16 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.89 . . . . 0.0 110.641 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.832 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.68 -36.55 82.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 110.477 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.863 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.3 tp -60.05 -37.35 79.57 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 -41.72 90.41 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -59.41 -38.05 79.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.42 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 158' ' ' LEU . 16.5 mt -60.33 -35.21 75.11 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.01 -30.56 71.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.507 -0.746 . . . . 0.0 109.443 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -81.29 -13.13 58.77 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.17 -0.956 . . . . 0.0 109.245 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.47 80.9 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.75 -28.97 60.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.438 -1.036 . . . . 0.0 109.909 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.31 130.99 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.576 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.569 ' C ' ' H ' ' B' ' 130' ' ' ILE . 73.0 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.532 ' N ' HG22 ' B' ' 128' ' ' ILE . 21.7 m120 -74.94 20.1 0.13 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.775 HD12 HG22 ' A' ' 78' ' ' VAL . 20.1 tt -66.36 -42.84 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.563 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -70.65 -42.29 71.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.711 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -67.25 -44.16 80.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.681 0.753 . . . . 0.0 109.084 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.779 0.799 . . . . 0.0 109.556 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 36.1 mtp . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.92 0.866 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.19 -33.64 69.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.216 -0.927 . . . . 0.0 108.959 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.59 -36.43 76.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.162 -0.961 . . . . 0.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.24 -33.24 67.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.58 -30.06 47.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 119.139 -1.025 . . . . 0.0 108.338 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.36 -38.13 73.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.37 -35.86 74.69 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.34 84.02 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.93 -38.8 70.77 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.896 -1.355 . . . . 0.0 107.869 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.555 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 79.8 tt0 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.963 HD11 HD12 ' A' ' 105' ' ' LEU . 46.1 tp -55.55 -42.34 74.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 0.0 108.764 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.65 -40.62 92.68 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.3 tm-20 -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.646 -0.659 . . . . 0.0 109.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.67 -50.44 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.276 -0.89 . . . . 0.0 110.45 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.814 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.77 -33.09 74.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 109.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.61 95.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.379 -0.826 . . . . 0.0 109.513 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 89.0 mtp -64.33 -40.06 95.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.005 . . . . 0.0 109.47 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.12 -39.12 88.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.861 . . . . 0.0 109.336 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.6 m-20 171.67 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.496 -0.752 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.15 -35.83 72.1 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.014 -1.054 . . . . 0.0 108.772 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.3 m -85.59 4.86 34.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.72 97.98 0.06 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -120.56 153.01 37.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.587 -0.949 . . . . 0.0 109.13 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.658 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -55.63 -34.01 64.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.246 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.35 -33.7 71.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -75.53 -24.15 56.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.525 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.5 mt -102.23 132.88 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 108.621 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 77.1 p -59.54 68.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.457 -0.777 . . . . 0.0 110.476 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.8 t0 -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.83 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.26 75.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.973 -1.079 . . . . 0.0 111.745 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.64 67.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.667 -1.271 . . . . 0.0 109.699 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.9 mt -62.7 -38.35 90.07 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.756 -0.59 . . . . 0.0 110.363 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.1 m-20 -61.49 -43.13 99.41 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.25 -0.906 . . . . 0.0 110.509 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.103 -0.998 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.518 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.62 -36.97 85.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.228 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 158' ' ' LEU . 19.8 tp -67.39 -35.46 79.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 110.597 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.9 m-20 -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.976 -1.077 . . . . 0.0 108.918 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.48 -43.07 67.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.001 -1.062 . . . . 0.0 108.186 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -63.91 -37.79 88.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.544 -0.722 . . . . 0.0 109.612 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.24 -39.78 73.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.038 -1.039 . . . . 0.0 108.686 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.17 -41.9 97.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.409 ' OD2' ' CE ' ' A' ' 118' ' ' LYS . 81.0 m-20 -93.36 -32.95 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.106 -0.996 . . . . 0.0 110.633 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.3 -1.57 0 O-C-N 121.145 -0.972 . . . . 0.0 109.448 -179.652 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.5 -36.84 79.31 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.85 93.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 109.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -59.64 -43.01 94.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.324 -0.86 . . . . 0.0 109.246 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 53.9 t -61.3 -43.32 96.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.37 -46.06 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 0.0 109.582 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.14 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.336 -0.852 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.2 m -62.03 -38.64 89.44 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.0 109.465 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.03 91.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.2 -0.937 . . . . 0.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -31.15 70.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.181 -0.949 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.98 -42.97 99.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.228 -0.92 . . . . 0.0 109.363 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 23' ' ' ILE . 81.3 m-85 -64.42 -37.42 87.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.388 -0.82 . . . . 0.0 109.727 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.85 -42.14 97.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.059 -1.026 . . . . 0.0 108.725 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -60.83 -30.99 70.43 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.55 -12.08 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.527 -0.733 . . . . 0.0 109.824 -179.539 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.41 5.06 63.76 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.457 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.7 mt -95.98 69.69 2.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.98 -1.306 . . . . 0.0 109.39 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.46 -33.73 87.25 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.742 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.8 mt -57.63 -43.21 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.025 -1.28 . . . . 0.0 109.985 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' CE1' ' A' ' 15' ' ' PHE . 35.3 mm -66.42 -47.75 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.941 -1.099 . . . . 0.0 108.727 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.91 -32.68 80.66 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.688 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.9 t80 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -1.105 . . . . 0.0 109.955 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 41.6 m-85 -67.31 -36.56 81.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 110.271 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.8 -41.6 99.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.04 . . . . 0.0 109.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.2 -39.99 94.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 108.919 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.17 -40.88 94.91 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.425 -0.797 . . . . 0.0 109.231 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.72 ' CE1' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -65.08 -42.34 94.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -63.79 -36.14 82.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.062 -1.024 . . . . 0.0 109.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.7 -46.34 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 110.277 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.1 -31.89 73.14 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.293 -0.88 . . . . 0.0 110.089 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -60.88 -45.57 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.975 . . . . 0.0 109.548 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.39 -46.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.319 -0.863 . . . . 0.0 109.375 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.59 -36.43 83.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.2 p -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -88.2 122.59 31.93 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.451 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.09 -37.46 85.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.887 . . . . 0.0 109.677 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -86.45 125.89 34.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.0 109.986 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -134.56 142.74 47.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.826 . . . . 0.0 109.589 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.468 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.15 159.83 19.64 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -52.95 -34.68 56.79 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.85 -1.156 . . . . 0.0 108.425 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.29 -44.97 67.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.349 -0.844 . . . . 0.0 109.806 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.468 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.5 mtp -69.55 -40.85 76.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.998 -1.063 . . . . 0.0 109.95 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 m -62.47 -43.51 98.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.589 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.24 81.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.326 -0.859 . . . . 0.0 109.773 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.59 -41.12 98.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.319 -0.863 . . . . 0.0 109.652 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.65 87.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.5 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.4 -45.87 92.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 110.419 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.45 -37.93 76.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.673 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.28 -37.22 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.23 -0.919 . . . . 0.0 110.012 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.6 mt -58.66 -39.37 80.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.27 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.325 -0.859 . . . . 0.0 109.358 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.6 m -64.19 -42.84 96.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.367 -0.833 . . . . 0.0 109.928 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.44 -51.35 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 109.488 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.71 -37.86 85.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.76 87.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.0 109.216 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.2 t80 -68.61 -48.88 62.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.439 -0.788 . . . . 0.0 109.718 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.5 tttt -63.32 -39.18 93.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.92 -34.03 76.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.576 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.21 -31.53 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.253 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.686 ' O ' HG22 ' A' ' 63' ' ' ILE . 75.4 mt -123.82 10.39 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.573 -0.705 . . . . 0.0 109.833 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.56 -37.73 61.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.13 65.6 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.41 -38.57 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.064 -1.257 . . . . 0.0 109.06 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.39 -29.36 1.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.02 81.87 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.422 -0.799 . . . . 0.0 109.383 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.02 -43.36 86.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.554 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.64 -39.41 93.65 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.7 t -160.88 97.66 1.17 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.3 p30 -96.26 7.07 47.38 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.232 -0.918 . . . . 0.0 109.598 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.94 -75.73 0.52 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -67.14 -39.48 86.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 111.365 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.405 HD11 HG23 ' A' ' 63' ' ' ILE . 34.3 tp -69.76 -35.44 74.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.508 -1.37 . . . . 0.0 109.881 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.592 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -60.18 -45.26 93.74 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.096 -1.002 . . . . 0.0 109.596 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.1 -42.14 95.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 108.274 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.742 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.8 ttt -58.83 -36.47 74.58 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.49 -32.71 71.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.677 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -56.84 -37.66 71.57 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.1 mt -60.33 -41.22 93.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.555 -0.716 . . . . 0.0 109.647 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.509 HG23 ' CE2' ' A' ' 25' ' ' TYR . 86.8 mt -85.34 -45.34 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.272 -0.893 . . . . 0.0 111.412 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 88.2 m-70 -73.55 -46.98 44.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 0.0 111.164 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -81.37 100.52 9.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.937 -1.102 . . . . 0.0 109.444 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -37.25 86.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.416 -0.803 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -47.11 84.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.253 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 60.9 tttm -64.96 -41.91 95.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 109.384 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.87 -37.84 88.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 108.918 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.49 -45.58 69.69 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.446 -0.784 . . . . 0.0 109.659 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.87 -47.25 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.151 -0.968 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -63.86 -43.57 95.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.151 -0.968 . . . . 0.0 109.279 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.79 -42.7 99.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 108.635 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.41 -41.47 96.61 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.2 m120 -62.74 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 0.0 109.415 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -65.56 -49.58 68.32 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.631 -0.828 . . . . 0.0 108.955 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.8 m -63.12 -45.13 93.43 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.37 -0.831 . . . . 0.0 109.175 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.9 mmm -63.5 -40.07 96.09 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.323 -0.861 . . . . 0.0 109.477 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 24.7 m -63.0 -46.09 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 109.263 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.81 -45.8 84.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.272 -0.893 . . . . 0.0 108.878 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.807 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 34.5 t80 -62.0 -39.99 94.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.615 -0.678 . . . . 0.0 109.793 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 50.0 t-20 -59.43 -38.06 79.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.463 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.13 -39.51 93.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.695 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.1 mmtt -63.48 -45.72 89.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.807 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 48.5 mt -67.75 -36.64 80.9 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.558 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.4 tttt -60.79 -46.37 90.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.554 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.0 mt-30 -64.56 -36.97 85.93 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -59.43 -32.18 69.97 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 18.3 tttt -58.84 -39.86 82.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.765 -0.584 . . . . 0.0 109.976 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.9 m-20 -169.24 -22.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.22 -0.925 . . . . 0.0 110.508 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.77 157.7 3.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.29 140.85 79.42 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.888 2.392 . . . . 0.0 112.664 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.2 m-90 -106.35 137.71 43.83 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.51 172.44 17.16 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.99 -1.069 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.46 -39.18 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.683 -0.636 . . . . 0.0 109.305 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.3 -42.61 77.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.993 -1.067 . . . . 0.0 108.769 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.554 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.5 tp -62.32 -37.19 84.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.242 -0.911 . . . . 0.0 108.883 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HG3' HD11 ' A' ' 158' ' ' LEU . 84.6 tttt -58.88 -47.7 84.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.466 -0.771 . . . . 0.0 109.976 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -67.61 -39.01 84.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 109.611 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 7.0 m -61.71 -39.23 90.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.835 . . . . 0.0 109.79 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.85 -41.98 98.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.112 -0.992 . . . . 0.0 109.347 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.852 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.0 m95 -62.08 -37.89 86.73 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 108.998 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -40.83 92.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.434 -0.791 . . . . 0.0 109.248 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.84 -40.07 94.03 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.446 -0.784 . . . . 0.0 109.65 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.599 HG23 HG23 ' A' ' 151' ' ' ILE . 95.4 mt -58.34 -42.52 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.26 -40.88 97.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.88 -40.83 94.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.297 -0.877 . . . . 0.0 110.433 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.747 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -64.22 -44.83 90.69 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.085 -1.009 . . . . 0.0 110.165 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.36 -36.31 81.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 0.0 109.955 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.528 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -66.09 -42.97 88.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.218 -0.926 . . . . 0.0 109.87 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.552 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.4 mt -59.4 -43.14 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 110.204 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 147' ' ' LEU . 94.0 mt -68.84 -45.26 71.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.114 -0.991 . . . . 0.0 110.261 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -66.27 -46.32 77.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 110.698 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 134' ' ' LEU . 95.4 mt -60.91 -31.5 71.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.282 -0.886 . . . . 0.0 111.635 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -137.29 55.47 1.81 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.813 -1.18 . . . . 0.0 111.269 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -62.22 -38.08 87.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.9 -1.125 . . . . 0.0 109.313 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.14 -28.89 67.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 111.451 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.42 HD22 ' HE2' ' A' ' 90' ' ' LYS . 12.8 t30 -91.89 0.78 57.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.731 -1.231 . . . . 0.0 110.515 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.415 HD13 HD23 ' A' ' 132' ' ' LEU . 77.8 mt -117.98 126.75 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.356 -0.84 . . . . 0.0 109.253 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -70.85 160.09 33.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.08 -38.65 91.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.1 m -65.39 -45.29 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -62.98 -39.24 94.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 0.0 109.339 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.761 HG23 HD22 ' A' ' 132' ' ' LEU . 47.2 m -61.3 -39.74 91.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.398 -0.814 . . . . 0.0 109.541 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.84 -39.43 77.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.715 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 m -61.94 -41.04 97.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.891 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -65.88 -40.84 91.96 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.421 -0.8 . . . . 0.0 109.658 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.65 -36.53 78.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.72 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.558 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 94.8 mtt-85 -61.23 -42.33 98.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 108.963 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 128' ' ' PHE . 85.2 mt -66.02 -43.04 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.426 -0.796 . . . . 0.0 108.881 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.6 mmtt -61.06 -40.53 93.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.569 -0.707 . . . . 0.0 109.664 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 33.3 t80 -57.73 -43.45 85.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 1.9 m -64.63 -42.4 95.5 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -58.89 -43.9 91.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.476 -0.765 . . . . 0.0 109.757 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 84.2 mt -69.48 -50.12 53.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.619 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.853 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -66.96 -36.33 81.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.16 -0.963 . . . . 0.0 110.614 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.852 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.7 tp -60.01 -37.05 78.6 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.5 m -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.547 -0.72 . . . . 0.0 109.914 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.5 -38.55 81.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.1 mt -59.92 -34.76 73.64 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.063 -1.023 . . . . 0.0 108.272 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.714 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.92 -30.94 71.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.527 -0.733 . . . . 0.0 109.564 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 53.5 mttm -81.54 -13.42 58.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.164 -0.96 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.25 12.4 80.77 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.58 -29.2 61.24 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.431 -1.041 . . . . 0.0 109.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.5 mm -102.59 129.88 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.962 . . . . 0.0 108.936 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.638 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.588 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.588 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.7 m120 -74.91 19.78 0.14 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -64.81 -39.55 86.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.498 ' N ' HG23 ' B' ' 130' ' ' ILE . 92.4 m-20 -72.98 -45.41 58.1 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.508 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' B' ' 132' ' ' LYS . 0.7 OUTLIER -68.4 -40.52 81.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 109.904 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.45 -0.781 . . . . 0.0 110.593 -179.174 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.7 mtm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.506 0.67 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.584 HD13 HD12 ' B' ' 144' ' ' ILE . 4.0 mm? -57.01 -33.92 67.64 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.291 -0.881 . . . . 0.0 108.985 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.25 -38.32 79.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 0.0 108.908 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.01 -34.08 71.46 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.262 -0.899 . . . . 0.0 108.582 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.584 HD12 HD13 ' B' ' 141' ' ' LEU . 51.7 mt -68.03 -31.01 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.87 -37.92 69.46 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . 0.469 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 7.1 tt0 -59.12 -36.37 75.07 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.27 80.8 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -55.88 -39.13 71.11 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.79 -1.418 . . . . 0.0 107.922 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.558 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.5 tt0 -61.7 -34.38 75.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.465 -0.772 . . . . 0.0 108.987 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.715 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.3 tt -55.06 -45.1 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 108.789 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.96 -39.78 93.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 109.306 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.542 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 1.8 tm-20 -61.65 -38.91 89.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.494 -0.754 . . . . 0.0 109.922 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 109' ' ' LYS . 34.6 t -64.03 -50.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.298 -0.876 . . . . 0.0 110.366 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.4 mm? -67.29 -33.81 76.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -63.07 -43.23 99.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.249 -0.907 . . . . 0.0 109.493 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 59.3 mtt -69.12 -38.46 78.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 109.682 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.67 -40.08 90.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.446 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.634 ' N ' HD22 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 173.54 103.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.472 -0.767 . . . . 0.0 109.257 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 86.8 m-20 -58.35 -35.77 72.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.22 -0.925 . . . . 0.0 109.11 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.9 p -83.06 2.82 33.2 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.96 0.06 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -122.46 152.63 40.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.519 -0.989 . . . . 0.0 109.205 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.24 -34.41 66.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.444 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.47 -33.78 71.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.442 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -75.59 -23.41 56.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 0.0 109.603 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.3 mt -102.39 131.97 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.751 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.6 m -58.93 70.47 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.425 -0.797 . . . . 0.0 110.407 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.2 t0 -63.13 -36.73 84.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.148 -0.97 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.18 76.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.849 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -42.76 67.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.729 -1.232 . . . . 0.0 109.723 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.473 HD21 ' HE3' ' A' ' 163' ' ' LYS . 96.0 mt -62.79 -38.37 90.4 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.64 -0.663 . . . . 0.0 110.344 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.5 m-20 -61.38 -43.01 99.61 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.0 110.544 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.89 80.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.019 -1.05 . . . . 0.0 109.891 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.42 -36.59 84.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 158' ' ' LEU . 19.4 tp -67.34 -35.1 78.7 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.637 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.592 ' O ' ' NE2' ' B' ' 180' ' ' GLN . 30.7 m-20 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.916 -1.115 . . . . 0.0 108.983 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.04 71.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.948 -1.095 . . . . 0.0 108.171 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 162' ' ' ALA . 18.0 tp -64.5 -36.46 84.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.598 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.449 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.86 -40.14 69.38 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.924 -1.11 . . . . 0.0 108.729 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . 0.82 ' H ' HE21 ' B' ' 180' ' ' GLN . 0.0 OUTLIER -65.19 -28.11 69.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.414 -0.803 . . . . 0.0 109.283 179.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.19 -53.5 56.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 110.532 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -76.84 -40.15 48.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.299 -1.595 0 O-C-N 121.476 -0.765 . . . . 0.0 109.083 -179.851 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.0 t-20 -60.55 -36.76 79.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.353 -0.842 . . . . 0.0 109.354 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.624 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -60.76 -39.35 88.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.0 109.608 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.1 83.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.93 . . . . 0.0 110.061 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 122' ' ' TRP . 41.5 ttt180 -59.92 -39.66 86.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.141 -0.974 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 4' ' ' ASN . 94.9 t -60.31 -39.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.95 -45.51 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -41.79 82.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 108.867 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -61.25 -38.73 87.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.417 -0.802 . . . . 0.0 108.983 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.9 83.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 108.693 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -60.88 -32.03 71.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.431 -0.793 . . . . 0.0 109.132 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -60.71 -40.61 92.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.39 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 23' ' ' ILE . 70.0 m-85 -63.73 -39.02 93.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.436 -0.79 . . . . 0.0 109.899 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.12 -40.59 94.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.007 -1.058 . . . . 0.0 108.994 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.0 -30.81 70.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.433 -0.792 . . . . 0.0 109.384 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.58 -7.52 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.381 -0.825 . . . . 0.0 109.86 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.62 5.3 63.23 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.499 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 20' ' ' LEU . 70.5 mt -99.56 65.3 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.019 -1.283 . . . . 0.0 109.449 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -31.07 77.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' CE ' ' A' ' 79' ' ' MET . 69.5 mt -57.24 -43.05 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.018 -1.283 . . . . 0.0 109.641 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.616 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.53 -47.11 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.643 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -33.49 83.68 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.9 t80 -59.16 -48.86 80.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -1.051 . . . . 0.0 109.797 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.452 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.0 m-85 -67.3 -35.85 80.3 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.245 -0.909 . . . . 0.0 109.953 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.8 mt -65.09 -41.74 94.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.049 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.45 -39.86 92.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.922 -1.111 . . . . 0.0 108.812 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 29' ' ' LEU . 44.3 tp -64.21 -38.61 91.66 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.775 ' CE1' HD11 ' A' ' 34' ' ' LEU . 55.6 t80 -63.71 -44.12 94.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.668 -0.645 . . . . 0.0 110.13 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.69 88.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.2 t -61.51 -48.57 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.058 -1.026 . . . . 0.0 110.311 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.09 -32.42 73.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.611 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.775 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.56 -46.2 90.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.21 -45.93 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.661 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.0 mt -63.29 -36.75 84.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.365 -0.835 . . . . 0.0 109.699 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -67.92 -14.52 63.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -89.72 124.23 34.43 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.503 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -35.06 78.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.92 . . . . 0.0 109.937 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -82.87 125.72 31.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.009 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -139.65 141.12 37.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.286 -0.884 . . . . 0.0 109.655 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.33 162.6 16.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -53.59 -35.21 60.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.882 -1.136 . . . . 0.0 108.618 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.24 -45.23 66.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 110.004 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -69.41 -40.7 77.15 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.006 -1.059 . . . . 0.0 109.887 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.5 m -62.38 -43.1 99.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.38 74.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.36 -40.55 96.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.761 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.96 88.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 109.569 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -60.8 -45.76 93.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 110.488 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.27 -38.11 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 109.783 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 52' ' ' LEU . 95.7 mt -64.59 -37.01 86.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.41 -38.74 78.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.927 -1.108 . . . . 0.0 109.332 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.224 -0.922 . . . . 0.0 109.303 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.2 m -65.9 -46.79 77.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 109.711 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mt -59.45 -48.38 87.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.64 -38.75 92.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.038 -1.039 . . . . 0.0 109.112 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.12 -41.57 77.19 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.297 -0.877 . . . . 0.0 108.931 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.9 t80 -65.53 -48.78 71.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.426 -0.796 . . . . 0.0 109.729 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 64' ' ' GLY . 63.3 tttt -65.39 -42.33 92.76 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.291 -0.881 . . . . 0.0 109.132 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -63.17 -33.67 75.97 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -58.45 -31.06 67.42 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 63' ' ' ILE . 68.8 mt -122.71 8.95 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.601 -0.687 . . . . 0.0 109.705 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.4 -38.18 61.87 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.51 4.37 62.34 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.225 -1.162 . . . . 0.0 110.431 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.69 -37.48 81.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.912 -1.346 . . . . 0.0 108.978 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -29.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.65 -29.99 71.04 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.16 81.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.437 -0.79 . . . . 0.0 109.259 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.76 -42.79 84.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -64.23 -39.37 93.83 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -161.57 97.49 1.09 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -95.64 4.7 52.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -94.7 -75.32 0.52 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.193 -0.942 . . . . 0.0 110.206 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.1 p -67.01 -38.15 85.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.791 . . . . 0.0 111.405 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 63' ' ' ILE . 30.3 tp -68.54 -35.39 77.36 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.606 -1.309 . . . . 0.0 109.89 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.7 m170 -59.79 -45.11 93.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.993 . . . . 0.0 109.443 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.01 -42.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.638 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.2 ttt -58.74 -36.42 74.3 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.36 -32.71 71.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -56.79 -37.23 70.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.7 mt -60.14 -40.7 90.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 0.0 109.565 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.5 mt -86.22 -45.56 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 111.004 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.7 m-70 -72.71 -47.97 42.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 111.129 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.62 101.07 9.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.876 -1.14 . . . . 0.0 109.612 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.53 -35.75 81.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.402 -0.811 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.91 -47.93 82.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 0.0 110.532 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.631 ' HZ3' HD13 ' B' ' 130' ' ' ILE . 66.7 tttt -67.53 -42.44 82.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.11 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.14 -37.62 87.96 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.26 -46.14 69.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.491 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.472 HG22 ' OD1' ' A' ' 95' ' ' ASN . 74.3 mt -63.0 -43.11 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.886 . . . . 0.0 109.428 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -62.88 -44.93 94.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.26 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 tpt -64.26 -44.61 91.23 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.226 -0.921 . . . . 0.0 108.673 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.47 -43.58 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.472 ' OD1' HG22 ' A' ' 91' ' ' ILE . 3.0 m120 -61.6 -41.79 97.94 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.378 -0.826 . . . . 0.0 109.0 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.49 -49.24 67.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 108.9 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 131' ' ' ILE . 39.8 m -61.73 -43.71 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.461 -0.775 . . . . 0.0 109.025 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.2 -37.81 86.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.398 -0.814 . . . . 0.0 109.55 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.1 p -64.66 -44.11 91.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -0.916 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 40.5 tp -67.68 -42.22 82.45 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HD11 ' B' ' 150' ' ' LEU . 41.1 t80 -62.21 -43.31 99.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.41 HD21 ' HB3' ' B' ' 149' ' ' GLU . 56.1 t-20 -63.16 -40.5 97.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 109.709 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.68 -41.09 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.782 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.489 ' HZ2' HD12 ' A' ' 117' ' ' LEU . 12.3 mmtt -63.8 -45.45 89.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.0 109.951 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.53 HD12 HD21 ' B' ' 150' ' ' LEU . 35.6 mt -67.16 -35.77 80.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.222 -0.924 . . . . 0.0 108.736 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.57 -45.14 92.73 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.4 mt-30 -63.89 -36.63 84.58 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.844 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.3 tp -60.15 -33.19 71.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 49.7 tttt -59.13 -38.94 80.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.628 -0.67 . . . . 0.0 110.32 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -167.57 -22.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.68 155.85 3.85 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.29 141.72 88.68 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.816 2.344 . . . . 0.0 112.377 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.4 m-90 -105.85 136.05 46.18 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -153.04 173.47 15.4 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.952 -1.092 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.36 -39.68 53.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.7 ttm -57.22 -42.58 81.63 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.999 -1.063 . . . . 0.0 108.774 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 45.6 tp -62.37 -37.14 84.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.332 -0.855 . . . . 0.0 109.069 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.4 tttt -57.35 -47.03 82.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.498 -0.751 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -66.73 -39.64 88.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.574 -0.703 . . . . 0.0 109.77 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -58.49 -40.28 82.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 110.356 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.34 -41.86 98.9 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.985 -1.072 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.87 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.7 m95 -62.9 -38.19 89.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.323 -0.861 . . . . 0.0 109.027 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -41.31 93.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.491 -0.756 . . . . 0.0 109.617 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.479 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 80.5 m -62.53 -40.36 96.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 151' ' ' ILE . 96.7 mt -58.69 -42.42 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.932 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.54 -41.06 93.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.97 . . . . 0.0 109.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.87 -40.57 97.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.89 . . . . 0.0 110.166 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.1 m-85 -64.46 -43.87 92.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.183 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.4 m -62.22 -36.64 82.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.155 -0.965 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.572 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.12 -40.54 90.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 0.0 109.836 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.489 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.7 mt -59.38 -43.06 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.141 -0.974 . . . . 0.0 110.388 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 147' ' ' LEU . 86.1 mt -67.57 -45.27 76.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.952 -1.092 . . . . 0.0 110.201 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.586 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.2 t60 -67.3 -42.81 83.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.926 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.572 HD12 ' SG ' ' A' ' 130' ' ' CYS . 86.6 mt -62.77 -32.2 73.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.285 -0.884 . . . . 0.0 112.021 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -142.32 60.14 1.45 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.635 -178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.84 -38.17 89.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.115 . . . . 0.0 109.083 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -27.67 66.88 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.57 -0.706 . . . . 0.0 111.299 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.415 HD22 ' HE2' ' A' ' 90' ' ' LYS . 8.2 t30 -91.55 0.72 57.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.815 -1.178 . . . . 0.0 110.267 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.5 mt -117.79 130.12 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.028 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -70.43 159.87 33.4 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.193 -0.942 . . . . 0.0 109.264 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.2 -38.54 91.41 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.229 -0.919 . . . . 0.0 109.394 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.3 m -66.04 -43.73 86.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.405 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.0 t -62.12 -39.05 91.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.623 HG23 HD22 ' A' ' 132' ' ' LEU . 56.0 m -60.58 -41.23 94.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.526 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.0 m -61.79 -40.54 95.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.256 -0.902 . . . . 0.0 109.536 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.79 HD12 HD21 ' A' ' 132' ' ' LEU . 87.5 mt -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.356 -0.84 . . . . 0.0 109.639 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.83 -36.7 79.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.476 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 16.3 tttp -61.98 -42.13 98.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.942 . . . . 0.0 109.036 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -62.41 -42.21 99.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.219 -0.925 . . . . 0.0 109.034 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.5 mt -65.25 -41.98 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.6 mmtt -60.87 -37.85 83.56 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.745 -0.597 . . . . 0.0 109.922 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.76 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -58.07 -43.69 87.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 109.137 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.97 -41.09 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.924 . . . . 0.0 108.829 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -58.96 -43.97 91.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.71 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.51 -50.04 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 110.614 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -66.57 -36.46 82.69 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.21 -0.931 . . . . 0.0 110.572 -179.332 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.87 HD21 ' NE1' ' A' ' 122' ' ' TRP . 36.0 tp -60.02 -37.61 80.28 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 108.407 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 80.1 p -67.21 -37.52 83.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.408 -0.807 . . . . 0.0 109.739 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.03 -38.75 87.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.915 . . . . 0.0 109.266 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.06 -34.99 74.17 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.748 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.26 -30.99 72.03 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.495 -0.753 . . . . 0.0 109.384 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' B' ' 171' ' ' LEU . 50.5 mttm -81.73 -13.33 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.177 -0.952 . . . . 0.0 109.195 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.8 80.64 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -74.78 -29.26 61.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.582 -0.952 . . . . 0.0 109.976 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.8 mm -102.65 130.6 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.155 -0.966 . . . . 0.0 109.009 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.551 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.795 HG22 ' ND2' ' B' ' 129' ' ' ASN . 79.1 mt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.795 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.1 m120 -75.54 19.41 0.19 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.631 HD13 ' HZ3' ' A' ' 88' ' ' LYS . 20.3 tt -65.94 -41.03 89.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.5 m-20 -67.97 -41.21 82.73 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.304 -0.959 . . . . 0.0 109.095 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -70.05 -46.11 65.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.653 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 90.7 mtp . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.69 0.757 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.672 HD13 HD12 ' B' ' 144' ' ' ILE . 3.9 mm? -58.94 -33.02 70.11 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -58.24 -37.06 74.14 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.744 HD13 ' O ' ' B' ' 143' ' ' LEU . 1.1 tm? -61.24 -37.52 83.36 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.672 HD12 HD13 ' B' ' 141' ' ' LEU . 55.3 mt -68.77 -29.77 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.978 . . . . 0.0 108.952 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.29 -36.8 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.54 -36.28 75.84 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.64 83.24 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.06 -37.54 71.96 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.897 -1.355 . . . . 0.0 107.801 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.41 ' HB3' HD21 ' A' ' 102' ' ' ASN . 82.9 tt0 -58.44 -34.69 71.11 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.692 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.2 tt -55.44 -45.17 76.85 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -39.7 84.79 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.465 -0.772 . . . . 0.0 109.328 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.541 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.84 -38.74 89.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.783 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 23.1 t -65.26 -50.78 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 0.0 110.364 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.3 mm? -66.53 -33.04 74.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.198 -0.939 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.11 98.3 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.33 -0.857 . . . . 0.0 109.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 43.8 mtt -66.55 -38.81 87.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.038 -1.039 . . . . 0.0 109.531 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 20.2 t-20 -60.8 -39.3 88.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.24 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.0 m-20 170.41 104.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.534 -0.729 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.34 -35.75 72.38 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.021 -1.05 . . . . 0.0 108.715 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.6 m -84.9 4.46 33.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.66 98.2 0.07 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -118.24 152.2 36.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.537 -0.978 . . . . 0.0 109.237 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.615 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.26 -33.12 62.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 0.0 109.165 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.03 -33.0 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.27 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -75.44 -24.73 57.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.5 mt -103.13 131.51 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.618 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 21.8 t -58.09 72.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.451 -0.78 . . . . 0.0 110.504 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.8 t0 -64.36 -36.87 85.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.52 -49.14 74.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.034 -1.041 . . . . 0.0 111.862 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -42.88 67.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.71 -1.244 . . . . 0.0 109.723 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.505 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.3 mt -62.63 -38.7 91.25 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.638 -0.664 . . . . 0.0 110.491 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.4 m-20 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.132 -0.98 . . . . 0.0 110.153 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.65 82.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 109.793 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.49 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.4 mt-10 -66.42 -37.62 85.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.249 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 158' ' ' LEU . 19.5 tp -67.18 -35.82 80.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.045 -1.035 . . . . 0.0 110.513 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.7 m-20 -62.07 -38.81 90.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.962 -1.086 . . . . 0.0 108.875 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.97 66.83 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 162' ' ' ALA . 16.9 tp -65.55 -38.57 89.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.554 -0.716 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.552 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.93 -41.28 77.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.034 -1.041 . . . . 0.0 109.389 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.28 -36.62 80.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.42 -44.95 81.53 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 28.5 m-20 -76.26 -36.17 58.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.9 . . . . 0.0 110.364 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.301 -1.532 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 -179.262 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 8' ' ' VAL . 48.9 t-20 -60.08 -38.07 81.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.159 -0.963 . . . . 0.0 109.387 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.59 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.28 -39.61 93.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.356 -0.84 . . . . 0.0 109.373 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.78 96.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.966 . . . . 0.0 109.74 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 122' ' ' TRP . 50.6 ttt180 -59.71 -42.38 92.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.573 HG11 ' HD2' ' A' ' 30' ' ' TYR . 93.6 t -61.1 -39.98 84.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.02 -47.65 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 0.0 109.186 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.06 81.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.5 m -61.79 -38.66 88.9 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.019 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.37 -32.68 72.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.434 -0.791 . . . . 0.0 109.53 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.9 -41.78 96.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 109.626 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.13 -39.22 93.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.266 -0.896 . . . . 0.0 109.987 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.18 -39.34 89.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.921 -1.112 . . . . 0.0 109.083 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.78 -33.19 73.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.375 -0.828 . . . . 0.0 110.068 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.05 0.1 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.072 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.55 63.47 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -98.63 45.51 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.971 -1.311 . . . . 0.0 109.095 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.16 -34.24 52.85 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.719 HD11 ' CE ' ' A' ' 79' ' ' MET . 71.0 mt -57.59 -42.87 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.294 . . . . 0.0 109.173 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.29 -48.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.064 -1.023 . . . . 0.0 108.432 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.72 80.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.9 t80 -58.72 -47.69 83.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.334 -1.098 . . . . 0.0 109.637 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.3 m-85 -67.12 -34.93 78.66 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.226 -0.921 . . . . 0.0 109.622 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.66 -41.0 96.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 0.0 109.964 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.483 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -60.51 -39.75 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.001 -1.062 . . . . 0.0 108.793 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.84 -38.8 92.44 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.768 ' CE1' HD11 ' A' ' 34' ' ' LEU . 46.0 t80 -64.68 -43.07 94.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.672 -0.642 . . . . 0.0 110.292 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.16 86.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 110.164 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.89 -47.32 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.059 -1.026 . . . . 0.0 110.343 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.33 -32.37 73.95 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.931 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.14 -46.3 91.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.975 . . . . 0.0 109.725 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.39 -46.02 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.276 -0.89 . . . . 0.0 109.366 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.99 -37.08 86.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.399 -0.813 . . . . 0.0 109.678 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.3 p -68.17 -14.09 62.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.85 123.01 32.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.31 -36.89 84.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -84.76 125.79 32.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.252 -0.905 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -138.32 143.17 39.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 49.1 m -114.14 158.99 20.56 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -52.93 -34.66 56.36 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.8 -1.187 . . . . 0.0 108.59 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.26 -42.33 72.29 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.27 -0.894 . . . . 0.0 109.899 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -70.21 -40.56 74.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.979 -1.075 . . . . 0.0 109.772 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -61.56 -42.48 98.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.12 76.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -0.84 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.29 -40.55 96.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.14 -0.975 . . . . 0.0 109.668 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.92 89.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.47 -45.66 92.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.444 -0.785 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.58 -38.29 74.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -64.02 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.76 -39.5 81.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.061 -1.024 . . . . 0.0 109.235 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.36 -43.58 98.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 HE22 ' A' ' 28' ' ' GLN . 57.0 m -66.94 -46.31 75.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.791 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.4 mt -61.31 -48.56 88.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.577 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.39 -37.98 89.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.107 -0.995 . . . . 0.0 108.95 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.69 76.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.2 t80 -65.24 -48.73 72.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.443 -0.786 . . . . 0.0 109.458 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.8 tttt -64.81 -41.19 95.98 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.295 -0.878 . . . . 0.0 109.042 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -63.08 -33.75 76.11 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.33 66.39 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 63' ' ' ILE . 64.2 mt -123.96 5.61 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.436 -0.79 . . . . 0.0 110.008 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.89 -37.35 21.77 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.09 4.42 63.04 Favored Glycine 0 N--CA 1.49 2.249 0 O-C-N 121.153 -1.204 . . . . 0.0 110.446 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -35.98 80.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.722 -1.458 . . . . 0.0 108.733 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -141.48 -29.67 0.62 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.56 -30.99 71.72 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.56 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.13 -42.12 99.44 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.383 -0.823 . . . . 0.0 109.218 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.97 -39.08 11.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.165 -0.959 . . . . 0.0 108.72 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.12 -39.31 89.52 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.174 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 3.5 t -133.43 -61.67 0.81 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.451 -0.78 . . . . 0.0 109.647 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ALA . 61.0 t0 61.95 -13.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.671 -0.643 . . . . 0.0 109.959 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 87.6 mttt -94.48 -79.69 0.42 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.965 -1.084 . . . . 0.0 109.001 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.5 p -68.29 -35.56 78.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 110.29 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 63' ' ' ILE . 41.6 tp -67.92 -37.4 81.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.663 -1.273 . . . . 0.0 109.769 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.35 -44.74 95.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.0 109.346 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.88 -43.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.29 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.719 ' CE ' HD11 ' A' ' 22' ' ' ILE . 10.9 ttt -58.81 -38.54 78.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.689 ' ND2' ' NE2' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -60.75 -32.27 71.58 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 85' ' ' ASP . 15.6 m -57.37 -36.92 71.84 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.619 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -59.44 -40.82 88.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.444 HG23 ' CE2' ' A' ' 25' ' ' TYR . 95.9 mt -80.27 -44.59 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.689 ' NE2' ' ND2' ' A' ' 80' ' ' ASN . 85.9 m-70 -70.05 -51.36 32.69 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.213 -0.929 . . . . 0.0 111.314 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' CG2' ' A' ' 81' ' ' THR . 83.7 m-20 -77.85 100.24 6.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.968 -1.083 . . . . 0.0 110.348 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.15 -37.26 86.83 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.513 -0.742 . . . . 0.0 109.533 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.11 -47.29 77.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.128 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.534 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 76.0 tttt -65.03 -41.27 95.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.013 -1.054 . . . . 0.0 108.952 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.51 -37.58 87.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.69 -46.44 67.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.474 -0.766 . . . . 0.0 109.652 -179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.435 HG22 ' ND2' ' A' ' 95' ' ' ASN . 86.5 mt -60.12 -47.14 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.201 -0.937 . . . . 0.0 109.497 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 109.269 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.2 tpt -62.68 -43.15 99.55 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.89 -44.28 90.14 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' B' ' 143' ' ' LEU . 87.5 m-20 -62.99 -41.51 99.59 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.428 -0.795 . . . . 0.0 108.93 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.47 -49.78 67.78 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.569 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.4 m -63.33 -43.86 96.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.411 -0.806 . . . . 0.0 109.098 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.4 mmm -62.77 -37.12 85.41 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.315 -0.865 . . . . 0.0 109.735 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.2 p -62.76 -45.27 93.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.237 -0.914 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 42.4 tp -67.45 -41.12 85.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 108.697 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.814 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 42.5 t80 -61.1 -41.71 97.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.283 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.78 -40.4 97.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.0 109.902 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.77 -40.22 94.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.729 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 11.7 mmtt -63.38 -45.52 90.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 60.4 mt -68.42 -35.27 77.4 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.317 -0.864 . . . . 0.0 108.713 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 28.7 tttp -59.8 -43.95 94.22 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.63 -36.8 83.95 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.2 tp -60.33 -32.01 70.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.635 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 16.2 tttt -58.83 -41.0 85.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.5 -0.75 . . . . 0.0 110.145 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 34.9 m-20 -170.85 -23.67 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.98 157.54 1.78 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 142.16 97.07 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.834 2.356 . . . . 0.0 112.566 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.44 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 5.9 m-90 -105.74 135.05 47.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.432 -0.792 . . . . 0.0 108.868 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -152.07 175.18 12.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.955 -1.091 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.32 -40.47 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -58.14 -38.73 77.11 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.907 -1.121 . . . . 0.0 108.598 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 117' ' ' LEU . 27.6 tp -61.55 -40.19 93.81 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 158' ' ' LEU . 83.5 tttt -62.42 -48.86 77.85 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.582 0.706 . . . . 0.0 109.47 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -69.02 -40.46 78.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.532 -0.73 . . . . 0.0 109.697 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 20.3 t -59.83 -40.01 87.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 0.0 109.711 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.277 -0.889 . . . . 0.0 109.422 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.857 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.5 m95 -61.17 -37.05 81.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.903 . . . . 0.0 109.253 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -42.88 92.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.486 -0.758 . . . . 0.0 109.86 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 31.0 m -62.19 -39.37 92.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.255 -0.903 . . . . 0.0 109.866 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 92.7 mt -58.1 -42.18 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.171 -0.956 . . . . 0.0 110.044 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.62 -40.92 96.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.13 -0.981 . . . . 0.0 109.804 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.33 -39.14 93.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 0.0 110.272 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.7 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.7 m-85 -64.58 -43.11 94.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.506 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -65.21 -31.93 73.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.046 . . . . 0.0 110.062 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.16 -41.21 77.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.131 -0.981 . . . . 0.0 109.801 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.569 HD11 ' OG1' ' A' ' 97' ' ' THR . 99.0 mt -59.38 -43.94 91.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 110.321 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.866 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -69.67 -45.48 68.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.934 -1.104 . . . . 0.0 110.147 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 7.2 t60 -66.99 -45.35 77.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.363 -0.836 . . . . 0.0 111.065 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 130' ' ' CYS . 92.3 mt -62.46 -30.62 71.38 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 111.456 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -138.41 56.48 1.72 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.791 -1.193 . . . . 0.0 111.287 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 132' ' ' LEU . 29.2 mtmm -62.27 -38.56 89.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.875 -1.141 . . . . 0.0 109.317 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -67.95 -28.54 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.496 -0.753 . . . . 0.0 111.436 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.406 HD22 ' HE2' ' A' ' 90' ' ' LYS . 13.4 t30 -91.93 0.23 57.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.681 -1.262 . . . . 0.0 110.6 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.8 mt -117.84 126.72 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.286 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 160.09 33.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.2 -38.26 90.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.418 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 49.9 m -64.79 -45.37 86.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.418 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -63.35 -38.77 92.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.83 . . . . 0.0 109.39 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.716 HG23 HD22 ' A' ' 132' ' ' LEU . 45.5 m -61.63 -39.5 91.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.775 . . . . 0.0 109.449 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.72 -41.18 81.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.38 -0.825 . . . . 0.0 109.763 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.74 -40.82 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.939 . . . . 0.0 109.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.866 HD12 HD21 ' A' ' 132' ' ' LEU . 84.3 mt -65.83 -41.26 92.03 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.379 -0.825 . . . . 0.0 109.656 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.13 -36.9 80.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.364 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.15 -40.24 95.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 108.956 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -61.32 -42.14 98.17 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.286 -0.884 . . . . 0.0 109.05 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.9 mt -66.61 -43.07 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 108.813 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.1 mmtt -60.83 -40.1 91.52 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 109.894 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.73 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 32.5 t80 -57.78 -43.5 85.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 8.3 m -65.99 -42.17 90.12 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.47 -44.01 89.14 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.336 -0.853 . . . . 0.0 109.689 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.63 -50.42 50.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 110.479 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.857 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.8 -38.6 82.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.5 t -66.24 -42.66 88.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 109.4 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -61.23 -38.29 86.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.573 -0.704 . . . . 0.0 109.632 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.3 mt -63.72 -42.8 97.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.241 -0.912 . . . . 0.0 109.816 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.599 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.13 -24.48 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.855 . . . . 0.0 109.793 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -83.74 -3.67 58.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.761 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.61 12.04 84.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.01 -29.06 60.75 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.188 -1.184 . . . . 0.0 109.931 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.545 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.2 mm -107.27 134.21 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.169 -0.957 . . . . 0.0 109.273 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.563 ' C ' ' H ' ' B' ' 130' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.519 ' N ' HG22 ' B' ' 128' ' ' ILE . 21.8 m120 -74.69 20.26 0.13 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 21.0 tt -65.39 -42.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.586 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -71.33 -42.4 68.62 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.364 -0.934 . . . . 0.0 108.816 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.404 ' HD2' HD22 ' B' ' 129' ' ' ASN . 76.5 mttt -66.72 -44.94 80.26 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.693 0.759 . . . . 0.0 109.074 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.741 0.782 . . . . 0.0 109.425 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.435 ' HB3' HD22 ' A' ' 95' ' ' ASN . 68.7 mtm . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -55.98 -35.92 67.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.127 -0.983 . . . . 0.0 109.177 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.52 -36.49 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 0.0 108.339 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.784 HD13 ' O ' ' B' ' 143' ' ' LEU . 2.7 tm? -55.9 -35.45 66.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 141' ' ' LEU . 66.5 mt -67.52 -29.58 45.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.041 -1.037 . . . . 0.0 108.542 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.8 -38.75 70.37 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.25 -36.42 75.45 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.14 79.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -55.93 -39.18 71.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.035 -1.273 . . . . 0.0 107.879 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.3 tt0 -59.63 -34.16 72.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.698 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.6 tt -54.84 -45.2 74.46 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.02 -41.22 91.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.295 -0.878 . . . . 0.0 108.951 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -61.66 -37.64 84.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.709 -0.619 . . . . 0.0 109.695 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.466 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 40.5 t -65.06 -50.49 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 110.285 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.73 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.9 mm? -66.67 -33.47 75.72 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.109 -0.994 . . . . 0.0 109.281 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.507 ' HB1' HD21 ' B' ' 159' ' ' ASN . . . -60.08 -42.34 94.36 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.371 -0.831 . . . . 0.0 109.41 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.635 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.3 mtp -65.79 -38.1 88.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 109.545 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.7 -39.17 87.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.97 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . 0.507 HD21 ' HB1' ' B' ' 155' ' ' ALA . 24.6 m120 -58.41 -35.27 71.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.15 -0.969 . . . . 0.0 109.144 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.8 p -82.2 2.25 32.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.25 0.07 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -119.64 153.0 36.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.539 -0.977 . . . . 0.0 109.3 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.17 -34.21 65.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.37 -33.51 71.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -75.46 -22.4 57.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.585 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.4 mt -102.58 135.02 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.257 -0.902 . . . . 0.0 108.791 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.1 p -60.12 68.59 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.399 -0.813 . . . . 0.0 110.217 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.3 t0 -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 110.839 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.03 -48.89 76.8 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.971 -1.08 . . . . 0.0 111.287 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -43.05 67.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.901 -1.124 . . . . 0.0 109.784 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.9 -38.08 89.54 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.561 -0.712 . . . . 0.0 110.265 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.7 m-20 -60.57 -43.35 97.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.0 110.476 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.22 81.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 0.0 109.81 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -64.89 -36.72 85.28 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 110.144 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 21.1 tp -66.36 -35.79 81.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.959 -1.088 . . . . 0.0 110.613 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.8 m-20 -61.41 -37.6 84.07 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.501 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.05 73.69 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.599 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.2 mt -66.29 -35.43 80.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.842 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.94 -41.64 71.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.903 -1.123 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.86 -34.24 75.64 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.548 -0.72 . . . . 0.0 109.135 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.62 -40.85 96.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 110.785 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -93.63 -18.21 22.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.06 -1.025 . . . . 0.0 110.789 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.299 -1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.269 -179.656 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.42 -36.81 79.05 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.76 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.21 -39.56 93.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.42 97.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.96 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -59.78 -44.91 93.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 0.0 109.102 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 ' CE2' ' A' ' 30' ' ' TYR . 83.7 t -61.39 -38.94 81.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.2 t -58.5 -45.25 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.175 -0.953 . . . . 0.0 109.102 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.95 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 108.839 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.8 m -62.65 -38.59 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.262 -0.899 . . . . 0.0 108.799 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -60.87 -31.81 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.436 -0.79 . . . . 0.0 109.184 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 0.0 109.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -63.99 -37.22 86.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.343 -0.848 . . . . 0.0 109.768 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.0 -42.23 98.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.092 -1.005 . . . . 0.0 108.676 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -60.98 -30.26 70.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.451 -0.781 . . . . 0.0 108.959 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.29 -12.12 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.88 64.17 Favored Glycine 0 N--CA 1.493 2.464 0 C-N-CA 119.903 -1.141 . . . . 0.0 110.498 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' H ' HG12 ' A' ' 18' ' ' VAL . 74.3 mt -94.38 62.11 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.953 -1.322 . . . . 0.0 109.397 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.32 71.24 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 mm -57.48 -43.81 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -1.212 . . . . 0.0 109.494 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.91 -48.04 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.114 -0.992 . . . . 0.0 108.762 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.67 -32.3 78.19 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.036 -1.625 . . . . 0.0 109.036 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.642 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.1 t80 -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.425 -1.044 . . . . 0.0 109.707 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.9 m-85 -67.37 -35.93 80.32 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.975 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.22 -40.88 97.6 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.042 -1.036 . . . . 0.0 109.762 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.561 HE22 HG21 ' A' ' 55' ' ' THR . 95.9 mt-30 -61.78 -39.22 90.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.07 -38.11 89.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.65 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 29.8 t80 -61.95 -47.04 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 109.944 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.15 82.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -0.901 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.46 -47.99 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 110.869 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 95.5 mt-10 -64.63 -32.3 73.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.136 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 mp -62.27 -44.63 96.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.078 -1.014 . . . . 0.0 109.775 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 81.0 mt -62.98 -47.19 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.245 -0.909 . . . . 0.0 109.512 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.0 -38.16 87.77 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.335 -0.853 . . . . 0.0 109.677 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -78.09 1.62 20.56 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.475 -0.765 . . . . 0.0 109.305 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.14 126.05 36.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.56 -36.62 83.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 0.0 109.702 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -98.19 125.85 43.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -133.33 142.25 48.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.11 159.53 19.93 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -52.25 -36.65 53.08 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.935 -1.103 . . . . 0.0 108.555 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.04 -41.73 77.27 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.316 -0.865 . . . . 0.0 110.061 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.474 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.0 mtp -70.97 -41.97 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.995 -1.066 . . . . 0.0 109.849 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -63.07 -43.6 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 0.0 109.549 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.2 79.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.431 -0.793 . . . . 0.0 109.786 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.32 -40.2 95.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.914 . . . . 0.0 109.729 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.509 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -66.21 -41.38 90.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.508 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.38 -45.59 93.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.795 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -38.18 74.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.82 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.9 mt -64.47 -37.68 88.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.66 -38.77 78.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.191 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.44 -43.77 98.01 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.27 -0.894 . . . . 0.0 109.333 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -68.27 -48.04 66.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.94 . . . . 0.0 109.674 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.0 mt -59.77 -47.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.73 80.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.281 -0.887 . . . . 0.0 108.956 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.642 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.2 t80 -64.85 -48.7 73.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.821 . . . . 0.0 109.374 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.8 tttt -64.94 -39.93 94.25 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.411 -0.806 . . . . 0.0 109.183 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -63.04 -33.76 76.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.74 -31.06 67.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 63' ' ' ILE . 69.3 mt -124.26 9.6 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.826 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.06 -37.51 45.79 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.14 64.93 Favored Glycine 0 N--CA 1.489 2.169 0 O-C-N 121.221 -1.164 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.81 -38.14 77.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.901 -1.352 . . . . 0.0 108.893 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.2 -29.58 0.89 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.49 -31.36 72.49 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.26 -42.93 99.77 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.226 -0.921 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.91 -38.81 23.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.189 -0.944 . . . . 0.0 108.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.69 -39.58 91.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.335 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 4.4 t -130.16 -60.64 1.01 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.923 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 69' ' ' ALA . 60.3 t0 62.7 -13.59 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.608 -0.683 . . . . 0.0 109.801 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 29.4 mttt -95.67 -79.55 0.44 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.019 -1.05 . . . . 0.0 109.22 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -67.92 -36.39 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.345 -0.847 . . . . 0.0 110.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.55 HD11 HG23 ' A' ' 63' ' ' ILE . 34.4 tp -65.12 -35.47 81.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.66 -1.275 . . . . 0.0 109.185 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.3 t60 -60.29 -45.05 94.7 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.318 -0.864 . . . . 0.0 109.398 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.2 -42.89 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.445 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.472 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.7 ttt -58.25 -36.8 73.75 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.48 -32.19 71.17 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.591 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 21.1 m -57.17 -37.81 72.66 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 77.7 mt -60.36 -40.53 91.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.498 -0.751 . . . . 0.0 109.561 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.3 mt -86.16 -45.07 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.292 -0.88 . . . . 0.0 111.57 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.561 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 94.1 m-70 -76.23 -48.02 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 111.314 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -79.51 98.9 7.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.25 -36.45 84.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.435 -0.791 . . . . 0.0 109.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.97 -47.16 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.0 110.279 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -65.1 -42.06 94.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 109.164 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.55 -38.06 89.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.728 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.86 -46.71 78.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.504 -0.748 . . . . 0.0 109.864 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.57 -47.1 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.513 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.54 -41.53 92.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 109.196 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 tpt -62.32 -41.24 98.39 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.17 -42.15 98.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.497 ' ND2' ' CD1' ' B' ' 143' ' ' LEU . 40.8 t30 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.242 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.85 -50.03 72.55 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.048 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.812 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.1 m -64.37 -45.25 88.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.349 -0.844 . . . . 0.0 108.851 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.8 mmm -63.39 -38.18 90.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.345 -0.847 . . . . 0.0 109.703 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -61.37 -47.06 87.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.5 -44.34 82.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 108.488 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.94 -41.39 96.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.693 -0.63 . . . . 0.0 110.057 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.446 ' HA ' HD23 ' B' ' 150' ' ' LEU . 2.9 m120 -62.8 -37.52 87.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 110.387 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.67 -39.08 93.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.018 . . . . 0.0 110.327 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HB3' HD21 ' A' ' 121' ' ' LEU . 25.8 mmtt -62.57 -45.29 93.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 109.957 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.952 HD12 HD21 ' B' ' 150' ' ' LEU . 21.6 mt -67.8 -35.98 79.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.493 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -59.73 -43.5 94.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.544 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.1 mt-30 -65.61 -36.89 85.03 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -59.95 -33.9 72.54 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.704 ' HD2' HG13 ' B' ' 153' ' ' VAL . 62.1 tttt -59.42 -45.25 92.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.688 -0.632 . . . . 0.0 110.219 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 68.6 m-20 -160.84 -2.51 0.06 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.18 -0.95 . . . . 0.0 111.097 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -72.97 157.84 52.68 Favored Glycine 0 N--CA 1.493 2.465 0 O-C-N 120.662 -1.274 . . . . 0.0 109.935 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.9 140.75 74.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.738 2.292 . . . . 0.0 112.271 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.434 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.0 m-90 -105.86 134.77 48.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.024 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -154.77 172.57 17.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.72 -38.24 50.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.674 -0.641 . . . . 0.0 109.6 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.62 -42.76 75.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.983 -1.073 . . . . 0.0 109.1 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.544 HD13 ' OE1' ' A' ' 107' ' ' GLN . 40.4 tp -62.58 -35.6 80.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.897 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.5 tttt -57.82 -47.16 83.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.797 . . . . 0.0 110.213 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -68.11 -39.14 82.86 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.3 p -64.78 -35.31 80.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.081 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 121' ' ' LEU . 77.6 mt -63.37 -40.79 98.22 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.593 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.844 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.7 m95 -62.34 -36.81 83.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.502 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.44 95.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.3 m -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.365 -0.835 . . . . 0.0 109.776 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.561 HG23 HG23 ' A' ' 151' ' ' ILE . 91.4 mt -58.6 -42.18 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.31 -41.22 98.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.092 -1.005 . . . . 0.0 110.261 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.82 -38.75 89.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.562 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.708 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -63.56 -43.98 95.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.92 -36.57 81.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.076 -1.015 . . . . 0.0 110.009 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.65 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 93.0 m -65.38 -43.47 90.59 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.268 -0.895 . . . . 0.0 110.203 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.812 HD11 ' OG1' ' A' ' 97' ' ' THR . 92.9 mt -59.42 -42.51 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.071 -1.018 . . . . 0.0 110.348 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.844 HD21 HD12 ' A' ' 147' ' ' LEU . 87.5 mt -68.82 -45.29 71.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.93 -1.106 . . . . 0.0 110.034 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.609 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.8 t60 -69.61 -38.55 77.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 110.626 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.99 -32.37 72.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 111.275 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -143.3 58.7 1.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.747 -1.22 . . . . 0.0 111.258 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.73 -37.79 85.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.162 . . . . 0.0 109.354 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -28.91 68.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.56 -0.713 . . . . 0.0 111.104 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.728 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 10.3 t30 -92.06 0.32 57.47 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.825 -1.172 . . . . 0.0 110.385 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.7 mt -117.87 127.08 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.73 160.04 33.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.256 -0.903 . . . . 0.0 109.37 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.01 -38.49 91.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.952 . . . . 0.0 109.399 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.8 m -65.3 -45.12 85.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.464 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -63.06 -38.62 91.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 109.446 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.773 HG23 HD22 ' A' ' 132' ' ' LEU . 46.4 m -61.48 -39.92 92.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.19 -38.82 77.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 21.8 m -61.78 -41.47 97.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.159 -0.963 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.844 HD12 HD21 ' A' ' 132' ' ' LEU . 83.8 mt -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.46 -0.775 . . . . 0.0 109.628 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.76 -36.83 79.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.464 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 19.0 tttp -61.97 -41.06 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.93 . . . . 0.0 109.028 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 146' ' ' SER . 68.5 mtt85 -61.04 -41.91 97.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.032 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.9 mt -65.42 -43.93 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.8 mmtt -61.25 -39.14 89.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.617 -0.677 . . . . 0.0 109.763 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.55 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.9 t80 -58.53 -43.67 89.28 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.319 -0.863 . . . . 0.0 108.707 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.4 m -66.53 -41.28 89.0 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -58.85 -44.02 90.91 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.427 -0.795 . . . . 0.0 109.706 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.5 -50.2 53.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.768 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.6 -35.89 81.28 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 110.167 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.844 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -60.11 -39.5 86.4 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.103 -0.998 . . . . 0.0 108.734 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.6 t -66.96 -45.45 77.69 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.264 -0.898 . . . . 0.0 109.553 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -60.88 -38.2 84.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.751 . . . . 0.0 109.437 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 158' ' ' LEU . 19.2 mt -63.7 -36.78 85.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.35 -0.844 . . . . 0.0 109.373 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.64 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -69.65 -30.89 68.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.434 -0.791 . . . . 0.0 110.837 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -86.17 -1.77 57.74 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.845 -1.16 . . . . 0.0 110.206 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.99 16.06 79.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -74.36 -28.24 61.04 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.186 -1.185 . . . . 0.0 109.227 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.535 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.3 mm -107.29 133.35 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.352 -0.843 . . . . 0.0 109.197 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.567 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.572 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.3 mt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.559 ' C ' HD22 ' B' ' 129' ' ' ASN . 0.0 OUTLIER -73.98 20.0 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.672 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -62.39 -44.19 98.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.575 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -76.4 -40.36 51.06 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.76 -36.83 85.18 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.462 0.648 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.433 -0.792 . . . . 0.0 109.226 -179.797 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.427 ' N ' ' SD ' ' B' ' 140' ' ' MET . 3.7 mpp? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.495 0.664 . . . . 0.0 109.746 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.33 -37.22 84.79 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.231 -0.918 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.12 -38.72 83.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.195 -0.941 . . . . 0.0 108.815 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.497 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 20.0 mt -58.76 -30.98 67.93 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 147' ' ' GLY . 52.0 mt -67.83 -30.19 47.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 120.928 -1.108 . . . . 0.0 108.018 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.7 -38.94 70.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.99 -35.7 73.67 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' B' ' 144' ' ' ILE . . . -61.24 -31.45 77.06 Favored Glycine 0 N--CA 1.484 1.835 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.61 -37.92 68.78 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.726 -1.456 . . . . 0.0 107.325 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.35 -34.17 74.84 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 105' ' ' LEU . 3.3 tm? -54.94 -43.93 73.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.85 -40.08 91.53 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.364 -0.835 . . . . 0.0 109.119 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.544 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 9.9 tm-20 -62.42 -39.52 93.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.688 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 109' ' ' LYS . 81.1 t -64.81 -49.88 77.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.483 -0.76 . . . . 0.0 110.253 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.55 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.54 -33.12 74.97 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.137 -0.977 . . . . 0.0 109.085 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.45 ' HB1' ' ND2' ' B' ' 159' ' ' ASN . . . -61.25 -42.98 99.56 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.267 -0.895 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.544 ' CE ' ' OE2' ' B' ' 152' ' ' GLU . 44.4 mtt -65.26 -37.6 87.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.044 -1.035 . . . . 0.0 109.628 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.49 -38.66 85.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.9 m-20 170.98 104.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.502 -0.748 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . 0.45 ' ND2' ' HB1' ' B' ' 155' ' ' ALA . 24.6 m120 -58.3 -35.56 72.01 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 108.799 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 43.4 p -85.22 3.04 41.19 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.49 97.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -121.73 153.0 38.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.519 -0.989 . . . . 0.0 109.126 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.662 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -55.54 -34.51 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.087 -1.008 . . . . 0.0 109.171 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.56 -33.65 71.69 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.364 -0.835 . . . . 0.0 109.406 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.43 -24.33 57.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.638 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.6 mt -101.55 134.38 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.221 -0.924 . . . . 0.0 108.755 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.2 m -58.78 71.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.41 -0.806 . . . . 0.0 110.281 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.9 t0 -66.14 -38.56 88.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.06 76.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.051 . . . . 0.0 111.41 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.66 -44.13 64.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.94 -1.1 . . . . 0.0 109.73 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.1 -38.43 88.83 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.647 -0.658 . . . . 0.0 110.462 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.8 m-20 -61.12 -43.42 98.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.0 110.352 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.26 82.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.032 . . . . 0.0 109.791 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.5 mt-10 -65.35 -37.62 87.61 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 158' ' ' LEU . 17.7 tp -66.42 -36.7 83.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.97 -1.081 . . . . 0.0 110.69 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.0 m-20 -61.98 -36.86 82.74 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.97 -1.081 . . . . 0.0 108.507 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.32 68.81 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.272 -0.893 . . . . 0.0 108.68 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.64 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.0 mt -67.69 -38.01 83.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.454 -0.778 . . . . 0.0 110.35 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.25 -43.63 78.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.127 -0.983 . . . . 0.0 109.275 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.32 -36.13 81.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.429 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -70.12 -47.59 61.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 0.0 110.445 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 24.9 m-20 -68.58 -37.56 79.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--N 1.3 -1.572 0 O-C-N 121.39 -0.818 . . . . 0.0 109.312 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.17 -38.0 81.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.4 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.23 -39.65 93.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.0 109.437 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.15 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.202 -0.937 . . . . 0.0 109.687 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' A' ' 126' ' ' ASP . 9.2 ttm180 -59.84 -44.0 94.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.279 -0.888 . . . . 0.0 109.145 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.5 t -61.69 -39.54 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.8 -44.86 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.88 92.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.274 -0.891 . . . . 0.0 108.691 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m -62.02 -38.55 89.12 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.483 -0.761 . . . . 0.0 109.214 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.5 84.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.316 -0.865 . . . . 0.0 109.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -30.72 70.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 0.0 109.126 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.56 -41.31 94.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 23' ' ' ILE . 78.6 m-85 -63.99 -37.1 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.588 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -42.21 97.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.15 -0.968 . . . . 0.0 108.675 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -61.04 -30.43 70.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.47 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.502 -0.749 . . . . 0.0 109.726 -179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 4.93 63.19 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.475 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 20' ' ' LEU . 78.7 mt -95.93 69.35 2.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.977 -1.307 . . . . 0.0 109.197 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.65 -35.76 92.45 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.431 HD11 ' HE2' ' A' ' 79' ' ' MET . 78.5 mt -57.86 -43.24 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.295 . . . . 0.0 109.876 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.25 -48.92 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.008 -1.057 . . . . 0.0 108.645 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.11 -32.28 79.86 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.8 t80 -58.46 -49.41 77.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.4 m-85 -67.51 -36.24 80.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.173 -0.954 . . . . 0.0 110.244 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.7 mt -64.0 -41.77 97.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.016 -1.053 . . . . 0.0 110.345 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -39.86 92.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 108.969 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.47 -38.56 91.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.794 . . . . 0.0 109.161 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 34.9 t80 -62.76 -42.56 99.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.682 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.72 88.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.08 -1.012 . . . . 0.0 110.408 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.1 -47.28 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.063 -1.023 . . . . 0.0 110.488 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.4 mt-10 -63.39 -31.17 72.25 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.068 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -60.41 -48.08 83.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 45' ' ' MET . 98.0 mt -65.48 -43.12 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.204 -0.935 . . . . 0.0 109.448 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 36' ' ' LEU . 87.0 mt -64.75 -39.03 92.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.692 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -78.96 1.61 23.16 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.511 -0.743 . . . . 0.0 109.106 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -95.2 127.46 41.27 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.43 -36.24 82.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.235 -0.916 . . . . 0.0 109.654 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.84 125.92 42.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.286 -0.884 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -131.78 144.07 50.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.429 -0.794 . . . . 0.0 109.523 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -114.03 158.44 21.19 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -52.12 -34.75 45.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.938 -1.101 . . . . 0.0 108.365 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.74 -45.13 79.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.961 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.419 ' O ' HD13 ' A' ' 35' ' ' ILE . 90.2 mmm -74.63 -41.98 59.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.825 -1.172 . . . . 0.0 109.594 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.5 m -61.66 -45.11 95.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 109.349 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.42 72.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.479 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.64 -40.09 95.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.62 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.93 94.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.232 -0.917 . . . . 0.0 109.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.13 -45.88 91.54 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.296 -0.877 . . . . 0.0 110.19 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.15 -38.23 79.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.9 . . . . 0.0 109.67 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.78 -36.94 85.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 81.7 mt -58.41 -39.54 80.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.043 . . . . 0.0 109.22 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.27 -42.6 99.48 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.357 -0.839 . . . . 0.0 109.403 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 m -64.58 -44.5 90.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.341 -0.85 . . . . 0.0 109.741 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.46 -51.26 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.123 -0.986 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -38.82 90.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.29 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 109.225 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.6 t80 -65.51 -48.17 73.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 109.676 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 64' ' ' GLY . 28.4 tttt -60.69 -35.04 75.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.203 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.05 -34.66 78.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.075 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.3 -31.46 70.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.237 -0.914 . . . . 0.0 109.259 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 63' ' ' ILE . 4.9 mp -120.28 8.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.448 -0.782 . . . . 0.0 109.581 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.93 -37.82 45.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.37 3.87 66.72 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -36.73 81.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.992 -1.299 . . . . 0.0 108.992 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.99 -29.85 0.89 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.64 -32.21 73.62 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.04 -39.98 96.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.425 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.99 -39.82 42.29 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.202 -0.936 . . . . 0.0 108.844 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.19 -38.5 83.46 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.279 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -134.49 -60.26 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.849 . . . . 0.0 110.159 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 69' ' ' ALA . 56.0 t0 59.64 -6.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.523 -0.736 . . . . 0.0 109.181 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 72' ' ' SER . 19.1 ttpp -100.16 -81.21 0.47 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.191 -0.943 . . . . 0.0 108.885 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -68.06 -35.29 77.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.416 -0.802 . . . . 0.0 109.833 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 76' ' ' LEU . 35.0 tp -67.49 -35.4 79.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.925 -1.109 . . . . 0.0 109.479 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.485 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.4 t60 -60.24 -45.13 94.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.066 -1.021 . . . . 0.0 108.531 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.458 ' HE1' HD21 ' B' ' 133' ' ' LEU . 7.2 ttt -58.54 -36.42 73.86 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.49 -32.72 71.7 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.593 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 27.6 m -56.78 -37.65 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -60.02 -40.24 88.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.473 -0.767 . . . . 0.0 109.495 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.405 HG23 ' CE2' ' A' ' 25' ' ' TYR . 59.8 mt -84.4 -45.62 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.207 -0.933 . . . . 0.0 110.986 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.582 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.9 m-70 -74.0 -47.04 39.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 111.108 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -83.41 100.92 11.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.856 -1.153 . . . . 0.0 109.897 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -64.61 -35.51 81.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.279 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.47 -48.14 80.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.156 -0.965 . . . . 0.0 110.609 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.826 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 57.1 tttm -65.56 -39.76 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.066 -1.021 . . . . 0.0 109.153 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.29 -37.75 86.75 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.453 -0.779 . . . . 0.0 108.948 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.91 -46.53 68.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.399 -0.813 . . . . 0.0 109.451 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.68 -46.16 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.171 -0.956 . . . . 0.0 109.809 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -65.01 -42.84 94.06 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.095 -1.003 . . . . 0.0 109.483 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.36 -40.85 97.78 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.981 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.21 -42.77 96.47 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.359 -0.838 . . . . 0.0 108.866 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.1 m120 -63.17 -40.74 98.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.01 -49.86 66.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.914 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.833 ' OG1' HD11 ' A' ' 131' ' ' ILE . 51.9 m -62.72 -44.44 96.21 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.394 -0.816 . . . . 0.0 109.01 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.3 mmm -63.08 -38.27 90.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 109.628 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.5 m -62.06 -46.23 90.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.234 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.76 -44.86 80.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 52.4 t80 -61.18 -43.07 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.659 -0.651 . . . . 0.0 109.666 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.476 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.4 t-20 -61.73 -38.57 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.5 -40.01 95.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 110.282 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.593 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 26.6 mmtt -64.94 -45.66 84.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.058 -1.026 . . . . 0.0 110.039 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 150' ' ' LEU . 20.1 mt -67.71 -36.09 79.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 108.534 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -60.02 -44.5 94.55 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.2 mt-30 -65.3 -36.87 85.41 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -58.5 -33.51 69.9 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' B' ' 153' ' ' VAL . 64.2 tttt -59.36 -38.93 81.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.709 -0.619 . . . . 0.0 110.08 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.6 m-20 -168.42 -20.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.64 157.81 5.11 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.75 140.55 74.7 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.922 2.415 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 167' ' ' GLY . 3.0 m-90 -106.38 137.61 44.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -154.33 172.23 18.0 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.937 -1.102 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.47 -39.13 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.677 -0.639 . . . . 0.0 109.292 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.6 ttp -56.41 -42.36 77.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.742 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 107' ' ' GLN . 37.3 tp -62.27 -36.73 82.96 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.313 -0.867 . . . . 0.0 109.019 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.9 tttt -57.71 -48.11 80.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.094 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -67.61 -38.87 84.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.383 -0.823 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.593 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.3 t -61.98 -38.88 90.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.08 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 121' ' ' LEU . 84.6 mt -61.41 -39.71 91.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.975 -1.078 . . . . 0.0 109.032 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.88 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.9 m95 -61.77 -38.38 87.79 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.413 -0.804 . . . . 0.0 109.188 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -41.84 95.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.494 -0.754 . . . . 0.0 109.659 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 50.5 m -61.81 -39.98 93.63 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.739 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.54 -42.57 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.013 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.588 ' OD1' ' NH1' ' A' ' 7' ' ' ARG . 92.1 m-20 -62.35 -41.11 98.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.989 . . . . 0.0 110.359 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.32 -40.65 95.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 0.0 110.648 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.671 ' HB3' HD11 ' A' ' 151' ' ' ILE . 23.9 m-85 -63.92 -42.82 97.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.866 -1.146 . . . . 0.0 110.311 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.79 -36.45 81.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.026 . . . . 0.0 109.907 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.0 -41.68 81.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.796 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.833 HD11 ' OG1' ' A' ' 97' ' ' THR . 94.0 mt -59.35 -42.34 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 110.468 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.639 HD21 HD12 ' A' ' 147' ' ' LEU . 85.6 mt -69.23 -45.29 70.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.006 -1.059 . . . . 0.0 110.337 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.585 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -66.97 -43.44 83.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.404 -0.81 . . . . 0.0 111.208 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.548 HD12 ' SG ' ' A' ' 130' ' ' CYS . 87.6 mt -61.18 -31.79 71.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 86' ' ' GLN . 5.6 m-90 -139.74 56.33 1.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.723 -1.236 . . . . 0.0 111.281 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -62.17 -38.43 89.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.916 -1.115 . . . . 0.0 109.38 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.02 -28.69 68.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.482 -0.762 . . . . 0.0 111.192 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.438 HD21 ' HG3' ' A' ' 87' ' ' GLU . 51.4 t30 -91.87 1.02 57.45 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.5 mt -117.64 125.92 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 109.136 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 160.03 33.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -63.82 -38.9 92.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.5 m -65.62 -45.42 83.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.3 m -62.73 -38.62 91.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.359 -0.838 . . . . 0.0 109.272 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.62 HG23 HD22 ' A' ' 132' ' ' LEU . 44.6 m -61.4 -39.47 90.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.458 -0.776 . . . . 0.0 109.349 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 145' ' ' ASN . 2.9 m120 -57.75 -38.97 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.578 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 m -61.85 -41.39 97.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.17 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.639 HD12 HD21 ' A' ' 132' ' ' LEU . 87.2 mt -66.7 -40.98 88.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.378 -0.826 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.84 -37.35 81.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.435 -0.791 . . . . 0.0 109.435 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -62.26 -41.56 98.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.961 . . . . 0.0 108.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.7 mtt85 -61.47 -41.84 97.87 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.403 -0.811 . . . . 0.0 108.974 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -65.48 -43.33 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.578 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.2 mmtt -61.25 -39.78 91.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' B' ' 154' ' ' LEU . 20.2 t80 -57.18 -43.66 82.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.367 -0.833 . . . . 0.0 108.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.81 -42.19 86.31 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.259 -0.9 . . . . 0.0 108.754 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -59.03 -43.46 91.62 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.447 HG23 HD13 ' B' ' 171' ' ' LEU . 89.5 mt -69.2 -49.16 64.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 O-C-N 120.89 -1.131 . . . . 0.0 110.696 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.767 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.6 m-85 -65.92 -35.55 80.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.987 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 1.016 HD23 HD11 ' B' ' 175' ' ' LEU . 32.5 tp -59.85 -36.02 75.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.817 -1.177 . . . . 0.0 108.414 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.587 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.1 OUTLIER -70.29 -39.14 75.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 109.531 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.08 -39.34 85.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.3 mt -59.62 -36.32 76.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 108.557 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.86 -29.03 70.26 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.457 -0.777 . . . . 0.0 109.409 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -80.35 -16.03 55.49 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.231 -0.918 . . . . 0.0 109.385 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.99 81.79 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 108.404 -1.879 . . . . 0.0 108.404 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.61 -28.41 60.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.558 -0.966 . . . . 0.0 109.844 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.0 131.59 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.175 -0.953 . . . . 0.0 108.93 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.57 ' O ' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.093 0 CA-C-O 117.916 -1.491 . . . . 0.0 109.646 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.712 HG22 ' ND2' ' B' ' 129' ' ' ASN . 80.2 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.712 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.8 m120 -75.83 20.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.826 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 19.8 tt -64.81 -41.72 92.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.548 ' N ' HG23 ' B' ' 130' ' ' ILE . 83.1 m-20 -74.87 -41.63 59.43 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.96 -39.46 87.25 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.481 0.658 . . . . 0.0 109.824 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . 0.458 HD21 ' HE1' ' A' ' 79' ' ' MET . 3.2 tt . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.529 -0.732 . . . . 0.0 110.558 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.418 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.951 0.881 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.6 -32.45 65.28 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.2 -35.72 72.05 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.13 -34.04 71.59 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.12 -30.55 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.26 -0.9 . . . . 0.0 108.937 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.06 -36.68 75.46 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.15 -35.99 74.49 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.05 82.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -55.83 -38.88 70.62 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.854 -1.38 . . . . 0.0 107.747 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -61.09 -33.95 74.16 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.957 HD11 HD12 ' A' ' 105' ' ' LEU . 39.6 tp -55.26 -41.75 72.63 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.286 -0.884 . . . . 0.0 108.778 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.76 -42.1 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.1 tm-20 -63.26 -40.25 96.89 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 109' ' ' LYS . 93.1 t -65.4 -49.41 78.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.404 -0.81 . . . . 0.0 110.158 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.6 -33.23 75.2 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.012 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.76 97.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.355 -0.84 . . . . 0.0 109.715 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.653 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -63.36 -39.0 93.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.509 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.2 t-20 -60.74 -38.02 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 109.236 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 0.7 OUTLIER 167.42 106.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.474 -0.766 . . . . 0.0 109.105 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.04 -35.35 71.18 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.193 -0.942 . . . . 0.0 108.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.4 p -83.09 2.93 32.73 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.89 0.06 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -123.72 153.53 40.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.584 -0.951 . . . . 0.0 109.062 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.659 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -54.65 -36.37 64.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.107 -0.996 . . . . 0.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.95 -32.92 71.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.903 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 -27.51 59.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 110.246 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 52.2 mt -98.36 135.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 108.896 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . 0.702 ' O ' HD12 ' B' ' 171' ' ' LEU . 23.1 m -57.04 74.85 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.1 t0 -63.85 -36.47 84.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.793 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.01 76.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.121 -0.987 . . . . 0.0 111.62 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -71.54 -44.65 64.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.789 -1.195 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . 0.702 HD12 ' O ' ' B' ' 167' ' ' SER . 15.1 mt -61.26 -38.53 87.05 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.704 -0.623 . . . . 0.0 110.021 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.578 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 96.4 m-20 -65.45 -43.22 91.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 110.63 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.03 82.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.189 -0.944 . . . . 0.0 110.401 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.03 -30.16 70.64 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 109.757 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 1.016 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -65.52 -42.86 91.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 110.674 -179.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -63.32 -42.96 99.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.948 -1.095 . . . . 0.0 109.126 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.78 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.101 -0.999 . . . . 0.0 108.834 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -61.88 -37.51 84.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.403 -0.811 . . . . 0.0 109.577 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.77 -40.33 79.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.122 -0.986 . . . . 0.0 108.624 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.99 -31.83 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.528 -0.733 . . . . 0.0 109.249 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.58 -43.22 99.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.315 -0.866 . . . . 0.0 110.575 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -93.36 -27.99 16.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.019 -1.051 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.301 -1.521 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.71 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.3 t-20 -60.29 -38.28 83.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.384 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.623 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.27 -39.56 93.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.37 88.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.976 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.506 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 49.1 ttt-85 -59.79 -40.83 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.221 -0.925 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.578 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.2 t -60.66 -40.01 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' NZ ' ' A' ' 13' ' ' LYS . 74.3 t -62.25 -47.49 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 109.137 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -41.37 80.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.874 . . . . 0.0 108.655 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 63.5 m -61.95 -38.88 90.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.86 -39.68 78.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.543 ' NZ ' HG12 ' A' ' 9' ' ' VAL . 51.7 mttp -61.19 -30.89 70.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.042 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -60.63 -40.75 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.432 -0.793 . . . . 0.0 109.497 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 23' ' ' ILE . 76.7 m-85 -63.61 -38.42 91.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.367 -0.833 . . . . 0.0 109.5 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.93 -39.75 90.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.091 -1.006 . . . . 0.0 108.964 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.54 -32.67 71.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 0.0 109.262 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.75 -7.94 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.326 -0.859 . . . . 0.0 109.762 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.88 4.99 63.03 Favored Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.45 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 20' ' ' LEU . 59.4 mt -94.1 57.62 2.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.102 -1.234 . . . . 0.0 109.342 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.15 -33.46 69.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mm -57.95 -43.44 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.246 . . . . 0.0 109.552 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.9 mm -67.65 -47.9 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.011 -1.055 . . . . 0.0 108.866 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.56 80.71 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 86.3 t80 -58.68 -48.11 82.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.369 -1.077 . . . . 0.0 109.895 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 31.3 m-85 -67.3 -35.77 80.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.195 -0.941 . . . . 0.0 109.988 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.94 -40.6 96.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.055 -1.028 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.495 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -61.08 -40.17 92.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.989 -1.069 . . . . 0.0 108.875 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.5 -39.25 93.44 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.786 ' CE1' HD11 ' A' ' 34' ' ' LEU . 47.9 t80 -64.79 -43.84 91.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.543 -0.723 . . . . 0.0 110.344 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.88 85.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 110.286 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.33 -48.06 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.475 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -64.57 -31.81 73.19 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.801 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.45 -47.15 87.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.24 -0.912 . . . . 0.0 109.834 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.71 -46.23 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.66 -37.79 88.66 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.407 -0.808 . . . . 0.0 109.5 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -68.39 -13.52 62.34 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -86.71 124.24 32.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.542 -0.724 . . . . 0.0 109.44 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.85 -36.16 81.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.846 . . . . 0.0 109.801 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -89.56 125.72 35.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -137.66 142.15 41.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 45' ' ' MET . 30.3 t -110.16 158.22 18.57 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.55 55.63 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.863 -1.148 . . . . 0.0 108.389 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.26 -41.84 72.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.379 -0.825 . . . . 0.0 109.782 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.46 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -70.91 -40.89 71.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.806 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -62.53 -42.4 99.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.559 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.34 -33.88 76.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.26 -39.97 94.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.304 -0.872 . . . . 0.0 109.763 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.13 90.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 m -60.38 -45.65 92.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.412 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.18 -38.32 76.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.8 mt -64.1 -38.37 90.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.154 -0.966 . . . . 0.0 109.938 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.76 -39.59 81.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.95 -43.06 99.82 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.28 -0.888 . . . . 0.0 109.279 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.495 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -66.88 -46.7 74.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.709 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.2 mt -60.08 -48.73 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.401 -0.812 . . . . 0.0 109.334 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.12 -39.36 94.47 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 108.994 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.51 81.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.849 . . . . 0.0 108.952 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -65.08 -48.69 72.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.817 . . . . 0.0 109.514 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 43.1 tttt -64.2 -39.56 94.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.023 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -63.15 -33.66 75.95 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.79 -31.45 68.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.757 . . . . 0.0 109.038 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.654 ' O ' HG22 ' A' ' 63' ' ' ILE . 74.2 mt -123.77 9.43 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.523 -0.736 . . . . 0.0 109.763 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.49 -37.8 61.39 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.68 2.96 64.73 Favored Glycine 0 N--CA 1.489 2.206 0 O-C-N 121.196 -1.179 . . . . 0.0 110.163 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.11 -36.94 81.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.005 -1.291 . . . . 0.0 109.026 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.92 -29.64 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.63 -30.44 71.55 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.18 83.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.461 -0.774 . . . . 0.0 109.366 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.73 -43.49 85.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.015 -1.053 . . . . 0.0 108.449 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -64.8 -38.69 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 t -158.76 98.72 1.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 60.7 t0 -98.09 7.2 46.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.58 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -97.7 -75.79 0.54 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.07 -39.69 86.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.371 -0.831 . . . . 0.0 111.325 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -67.4 -35.71 79.83 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.798 -1.189 . . . . 0.0 109.998 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 52.3 t-80 -59.46 -45.2 92.29 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.97 . . . . 0.0 109.53 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.58 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.8 -42.15 94.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 108.636 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.454 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 ttt -58.32 -36.53 73.52 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.82 71.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.8 -37.52 71.29 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.6 mt -60.19 -40.64 90.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.488 -0.758 . . . . 0.0 109.477 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.1 mt -86.07 -45.4 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.206 -0.934 . . . . 0.0 111.284 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -74.17 -47.72 33.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 111.26 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -81.26 101.32 9.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 0.0 109.636 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.6 -37.06 86.25 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -47.69 84.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.948 . . . . 0.0 110.44 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.794 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 59.1 tttm -66.04 -43.01 88.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 109.166 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.25 -37.95 89.32 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.13 -45.2 75.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.503 -0.748 . . . . 0.0 110.159 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 91' ' ' ILE . 54.5 mt -65.21 -41.75 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.042 . . . . 0.0 109.37 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -64.26 -42.95 96.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.255 -0.903 . . . . 0.0 109.737 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.62 -40.43 96.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 109.784 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.86 -40.14 91.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.493 ' O ' ' OG ' ' A' ' 99' ' ' SER . 1.2 t30 -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 109.686 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.93 -47.78 81.79 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.301 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.8 m -63.23 -46.12 88.44 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.1 mmm -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.191 -0.943 . . . . 0.0 109.634 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 40.2 m -61.18 -46.15 91.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.148 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.629 HD11 ' HZ1' ' A' ' 104' ' ' LYS . 59.8 tp -66.72 -44.69 80.92 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.874 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.4 t80 -61.36 -42.57 98.91 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.657 -0.652 . . . . 0.0 109.496 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.0 -38.39 85.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 0.0 109.642 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -42.05 99.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.277 -0.889 . . . . 0.0 109.902 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HZ1' HD11 ' A' ' 100' ' ' LEU . 14.3 mmtm -63.53 -45.07 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.928 . . . . 0.0 109.587 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 101' ' ' TYR . 61.4 mt -65.74 -36.99 85.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.25 -0.906 . . . . 0.0 108.844 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -61.32 -46.04 91.92 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.1 mm-40 -63.01 -36.68 84.35 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.8 tp -58.86 -32.93 69.9 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.626 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 15.5 tttt -58.91 -40.6 85.0 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.659 -0.651 . . . . 0.0 110.081 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.27 -8.46 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.986 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -64.58 157.42 44.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -62.9 139.39 73.77 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.782 2.321 . . . . 0.0 112.368 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.427 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.5 m-90 -105.95 134.56 48.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.412 -0.805 . . . . 0.0 108.873 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -154.47 173.1 16.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.042 -1.037 . . . . 0.0 110.513 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.2 t -55.67 -38.26 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.717 -0.614 . . . . 0.0 109.486 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.17 -42.69 77.45 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.888 -1.132 . . . . 0.0 108.939 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.44 -36.47 82.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.279 -0.888 . . . . 0.0 109.002 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 83.9 tttt -57.49 -47.39 82.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.426 -0.796 . . . . 0.0 110.255 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -67.41 -39.2 85.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.375 -0.828 . . . . 0.0 110.002 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.1 p -65.44 -35.04 79.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 121' ' ' LEU . 76.0 mt -63.32 -41.02 98.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.869 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.0 m95 -63.18 -36.54 83.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.889 . . . . 0.0 108.858 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -41.99 98.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.572 -0.705 . . . . 0.0 109.754 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -39.99 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.484 HG23 HG23 ' A' ' 151' ' ' ILE . 92.6 mt -57.7 -42.38 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.979 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.46 -40.51 94.76 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.197 -0.939 . . . . 0.0 109.847 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.18 -39.28 94.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.274 -0.891 . . . . 0.0 110.417 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 151' ' ' ILE . 21.7 m-85 -64.6 -42.82 95.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.047 -1.033 . . . . 0.0 110.524 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -65.04 -31.68 73.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 109.995 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.91 76.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.136 -0.977 . . . . 0.0 109.774 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.751 HD11 ' OG1' ' A' ' 97' ' ' THR . 93.5 mt -59.47 -45.29 93.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.062 -1.024 . . . . 0.0 110.137 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 147' ' ' LEU . 90.4 mt -70.48 -44.12 68.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.096 -1.003 . . . . 0.0 110.205 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.597 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 12.1 t60 -67.58 -45.15 76.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.468 -0.77 . . . . 0.0 111.154 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 130' ' ' CYS . 88.6 mt -61.43 -33.01 73.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.2 -0.937 . . . . 0.0 111.414 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -136.41 57.75 1.76 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -62.06 -39.44 92.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.994 -1.066 . . . . 0.0 109.463 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.68 -27.55 65.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.434 -0.791 . . . . 0.0 111.759 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.423 HD22 ' HE2' ' A' ' 90' ' ' LYS . 9.3 t30 -92.01 2.47 56.53 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.622 -1.299 . . . . 0.0 110.91 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.422 HD13 HD23 ' A' ' 132' ' ' LEU . 74.4 mt -116.88 129.65 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.185 -0.947 . . . . 0.0 109.17 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.6 159.73 33.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 0.0 109.679 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.16 -38.97 92.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.356 -0.84 . . . . 0.0 109.734 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.4 m -63.92 -45.77 87.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.451 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.6 t -63.19 -37.32 86.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.343 -0.848 . . . . 0.0 109.22 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.456 HG23 HD22 ' A' ' 132' ' ' LEU . 39.5 m -60.35 -41.42 93.61 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.71 -39.52 81.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.859 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.535 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 t -62.0 -43.22 99.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 132' ' ' LEU . 84.8 mt -65.86 -41.36 91.74 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.413 -0.804 . . . . 0.0 109.948 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.09 -37.19 81.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.35 -41.06 98.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.179 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.8 mtt85 -61.14 -41.72 97.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 109.152 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.589 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.3 mmtt -61.06 -39.39 89.65 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.686 -0.634 . . . . 0.0 109.657 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.506 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.1 t80 -57.88 -43.67 86.22 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.51 -0.744 . . . . 0.0 109.111 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.46 -41.1 93.75 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 108.859 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -58.49 -43.91 89.19 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.388 -0.82 . . . . 0.0 109.68 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.52 -50.64 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.249 -0.907 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.68 -35.76 80.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.378 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.869 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.8 tp -60.12 -38.3 82.6 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 108.532 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 m -66.65 -45.82 77.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.367 -0.833 . . . . 0.0 109.255 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -61.5 -38.67 88.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.617 -0.677 . . . . 0.0 109.609 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.9 mt -63.64 -41.52 98.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.284 -0.885 . . . . 0.0 109.705 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.37 61.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -84.29 -3.37 58.19 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.787 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.16 12.36 84.69 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.11 -29.13 60.49 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.232 -1.158 . . . . 0.0 109.985 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.6 mm -106.42 133.2 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.162 -0.961 . . . . 0.0 109.239 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 CA-C-O 117.933 -1.481 . . . . 0.0 109.54 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.909 HG23 ' H ' ' B' ' 129' ' ' ASN . 16.4 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.909 ' H ' HG23 ' B' ' 128' ' ' ILE . 19.2 m120 -75.36 18.99 0.18 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.489 -1.382 . . . . 0.0 108.073 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.794 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 20.5 tt -69.69 -43.36 80.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.578 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.4 m-20 -69.11 -41.81 76.92 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . 0.428 ' HD2' HD22 ' B' ' 129' ' ' ASN . 77.0 mttt -65.84 -46.31 79.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.745 0.783 . . . . 0.0 109.415 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 122.004 0.907 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 68.8 mt -56.58 -33.07 65.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.223 -0.923 . . . . 0.0 109.204 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.65 -36.87 77.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.183 -0.948 . . . . 0.0 108.694 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.621 ' N ' HD22 ' B' ' 143' ' ' LEU . 3.7 mm? -60.75 -31.14 70.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 0.0 108.65 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.88 -31.98 54.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -57.7 -38.97 76.13 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.42 -35.8 74.66 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.29 80.22 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.78 -38.7 70.27 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.96 -34.0 72.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.701 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.1 tt -55.0 -43.03 73.23 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.54 -39.82 92.45 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.344 -0.848 . . . . 0.0 109.254 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.567 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.2 tm-20 -61.77 -38.55 88.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.495 -0.753 . . . . 0.0 109.683 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 33.2 t -65.46 -50.18 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.162 -0.961 . . . . 0.0 110.216 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 154' ' ' LEU . 1.5 mm? -66.26 -33.33 75.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 109.267 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.21 99.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.626 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.1 mtp -66.45 -38.64 87.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 109.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.1 t-20 -60.67 -38.25 84.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.8 m-20 170.5 107.31 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.831 . . . . 0.0 109.277 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.85 -35.23 70.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.9 p -85.21 2.84 42.06 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.63 97.99 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -126.36 154.3 43.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.943 . . . . 0.0 109.089 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.715 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.0 -34.05 63.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 109.464 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.58 -32.97 70.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.374 -0.829 . . . . 0.0 109.73 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.48 -22.91 56.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.3 -0.875 . . . . 0.0 109.908 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.6 mt -102.68 134.29 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.227 -0.92 . . . . 0.0 108.989 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 13.6 t -59.67 70.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.415 -0.803 . . . . 0.0 110.168 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.1 t0 -64.04 -38.17 90.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.5 -48.91 77.49 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.981 -1.074 . . . . 0.0 111.333 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -42.71 68.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.883 -1.136 . . . . 0.0 109.841 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.39 -38.25 90.42 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.589 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -60.96 -42.47 98.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.67 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.68 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.053 -1.029 . . . . 0.0 110.199 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.5 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.77 -37.26 81.84 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.177 -0.952 . . . . 0.0 110.31 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.1 -37.08 80.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.04 -1.037 . . . . 0.0 110.553 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -62.71 -39.68 94.79 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.003 -1.06 . . . . 0.0 109.123 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.44 -42.95 64.45 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.104 -0.998 . . . . 0.0 108.344 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.458 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.2 tp -65.12 -38.38 90.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.556 -0.715 . . . . 0.0 109.651 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.83 -41.68 71.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.216 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.28 -36.32 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 108.995 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.44 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.2 tm-20 -67.58 -46.37 72.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.385 -0.822 . . . . 0.0 109.95 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 47.5 m-20 -70.74 -36.22 73.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.419 -0.801 . . . . 0.0 109.761 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.268 -179.597 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 86.6 m-20 -60.44 -36.69 78.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.244 -0.91 . . . . 0.0 109.443 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.07 -39.43 92.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.08 90.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.928 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.539 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 45.2 ttt-85 -59.83 -41.02 90.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.116 -0.99 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.3 t -60.64 -40.09 83.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.07 -47.36 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 108.641 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.539 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 51.7 m -61.29 -38.33 86.41 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.02 81.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 108.717 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.54 -33.1 72.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.141 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -60.5 -38.7 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 108.977 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE2' HG21 ' A' ' 23' ' ' ILE . 54.8 m-85 -62.88 -42.33 99.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.257 -0.902 . . . . 0.0 108.818 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.23 -41.57 97.11 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.75 -11.35 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.648 -0.658 . . . . 0.0 109.492 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.15 4.7 62.76 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' H ' HG12 ' A' ' 18' ' ' VAL . 93.1 mt -101.69 72.44 1.38 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.035 -1.273 . . . . 0.0 109.226 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.95 -32.87 85.62 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.712 HD11 ' CE ' ' A' ' 79' ' ' MET . 75.6 mt -57.45 -43.24 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.991 -1.3 . . . . 0.0 109.93 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.827 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.6 mm -66.57 -47.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 108.791 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.77 83.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 87.1 t80 -58.77 -48.9 79.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -1.049 . . . . 0.0 109.793 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 40.0 m-85 -67.34 -36.73 82.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.029 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.2 mt -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.043 -1.035 . . . . 0.0 110.083 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.547 HE22 HG21 ' A' ' 55' ' ' THR . 96.9 mt-30 -61.03 -39.97 91.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.958 -1.089 . . . . 0.0 108.539 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.13 -39.02 92.45 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE1' HD11 ' A' ' 34' ' ' LEU . 68.1 t80 -65.07 -45.6 84.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.655 -0.653 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.82 88.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.111 -0.993 . . . . 0.0 109.977 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.09 -47.85 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.953 . . . . 0.0 110.201 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.582 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.54 -32.84 74.65 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.363 -0.835 . . . . 0.0 109.749 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.4 -46.35 90.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.279 -0.888 . . . . 0.0 109.651 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.54 -46.38 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.841 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.47 -38.72 92.01 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.364 -0.835 . . . . 0.0 109.523 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.7 t -68.63 -10.75 57.99 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -92.88 126.07 37.78 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.373 -0.829 . . . . 0.0 109.485 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.91 -35.21 79.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.791 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.63 125.63 33.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 110.045 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -142.09 143.95 33.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.637 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.16 158.89 20.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -52.85 -34.3 53.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.862 -1.148 . . . . 0.0 108.45 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -69.97 -44.06 70.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.283 -0.885 . . . . 0.0 109.799 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.454 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.1 mtp -69.01 -40.91 78.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.825 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.0 109.633 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.17 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -0.821 . . . . 0.0 109.952 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.27 -40.34 95.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.747 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.56 88.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.124 -0.985 . . . . 0.0 109.675 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.45 -45.78 92.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 110.504 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -38.12 74.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 0.0 109.735 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.1 mt -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 109.931 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.22 -39.01 77.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.057 -1.027 . . . . 0.0 109.173 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.16 -43.37 98.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.237 -0.914 . . . . 0.0 109.38 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.547 HG21 HE22 ' A' ' 28' ' ' GLN . 46.7 m -68.42 -47.49 67.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.918 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 52' ' ' LEU . 3.1 mt -60.76 -48.46 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.281 -0.887 . . . . 0.0 109.774 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.92 -40.41 91.41 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.037 -1.039 . . . . 0.0 109.225 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.29 80.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 108.938 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -61.86 -47.17 86.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.749 . . . . 0.0 110.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.592 ' O ' ' N ' ' A' ' 64' ' ' GLY . 39.5 tttt -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -63.31 -33.16 74.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 108.684 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.2 -31.06 66.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.654 ' O ' HG22 ' A' ' 63' ' ' ILE . 70.7 mt -123.76 7.83 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.584 -0.697 . . . . 0.0 109.774 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.66 -37.87 62.38 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.56 63.79 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -37.76 73.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.907 -1.349 . . . . 0.0 108.958 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -135.21 -29.73 1.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.17 -31.45 72.6 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.89 -35.69 77.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.388 -0.82 . . . . 0.0 109.24 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -58.4 -42.9 88.16 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.049 -1.032 . . . . 0.0 108.505 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -65.24 -39.4 92.66 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -158.79 95.49 1.3 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -93.81 6.85 47.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 0.0 109.689 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -95.87 -75.36 0.53 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.16 -0.962 . . . . 0.0 110.004 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -67.32 -40.26 85.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.806 . . . . 0.0 111.39 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.51 HD11 HG23 ' A' ' 63' ' ' ILE . 31.4 tp -68.41 -34.98 76.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.486 -1.384 . . . . 0.0 109.779 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.571 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.02 -45.06 94.01 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.235 -0.916 . . . . 0.0 109.584 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.12 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.712 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.6 ttt -58.84 -36.48 74.63 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.692 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.42 -32.83 71.73 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.692 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 29.0 m -57.15 -37.52 72.17 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.08 -40.8 90.81 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.42 -0.8 . . . . 0.0 109.443 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.5 mt -85.06 -45.78 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.135 -0.978 . . . . 0.0 111.077 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.574 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 93.5 m-70 -72.82 -46.76 51.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.34 -0.85 . . . . 0.0 111.138 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -83.15 99.12 9.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.903 -1.123 . . . . 0.0 109.613 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.7 mp0 -64.53 -35.98 82.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 110.21 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.81 -47.68 84.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.0 110.158 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 61.2 tttm -66.32 -41.74 89.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.443 -0.786 . . . . 0.0 108.894 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.89 -44.72 70.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.49 -0.756 . . . . 0.0 109.684 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.467 HG22 ' OD1' ' A' ' 95' ' ' ASN . 82.4 mt -65.05 -40.07 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.161 -0.962 . . . . 0.0 109.694 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -65.72 -43.86 87.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.638 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -62.15 -41.15 98.0 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.987 . . . . 0.0 108.509 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.4 tp -65.56 -42.2 92.11 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.475 HD21 ' CG1' ' B' ' 144' ' ' ILE . 20.9 m120 -62.88 -43.24 99.33 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.37 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.16 -48.88 69.31 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.296 -0.878 . . . . 0.0 108.888 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 127' ' ' LEU . 57.7 m -61.65 -44.41 97.02 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.002 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.0 -38.1 89.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.358 -0.839 . . . . 0.0 109.443 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -62.77 -47.08 85.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 109.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 45.4 tp -67.36 -45.06 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.16 -0.963 . . . . 0.0 108.555 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.884 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 27.6 t80 -63.58 -39.55 94.67 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.594 -0.691 . . . . 0.0 109.468 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.503 ' HA ' HD23 ' B' ' 150' ' ' LEU . 59.6 t-20 -62.39 -41.3 98.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.547 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.99 -39.45 93.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 110.027 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.504 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.9 mmtm -62.7 -44.9 95.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.101 -1.0 . . . . 0.0 110.093 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.958 HD12 HD21 ' B' ' 150' ' ' LEU . 23.9 mt -67.99 -35.79 78.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.938 -1.101 . . . . 0.0 108.545 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.0 tttp -59.59 -42.11 91.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.7 mt-30 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 157' ' ' TYR . 4.4 tp -57.93 -33.86 69.26 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 57.7 tttt -59.35 -45.03 92.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.758 -0.588 . . . . 0.0 110.223 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 66.0 m-20 -161.98 -1.42 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.169 -0.957 . . . . 0.0 111.132 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -74.04 158.07 51.76 Favored Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.688 -1.258 . . . . 0.0 110.125 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.4 140.33 69.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.492 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.5 m-90 -106.1 135.46 47.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.825 . . . . 0.0 109.299 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -157.25 172.31 18.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.089 -1.007 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.62 -38.2 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.679 -0.638 . . . . 0.0 109.433 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -54.78 -42.62 71.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.971 -1.081 . . . . 0.0 108.903 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.8 tp -62.31 -36.81 83.3 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.273 -0.892 . . . . 0.0 109.042 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.522 ' HZ1' ' HB2' ' B' ' 182' ' ' ASP . 40.0 tttt -59.09 -47.31 85.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.49 -0.756 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -65.45 -39.51 92.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.447 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.5 p -66.75 -35.28 79.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 109.877 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.6 mt -64.31 -41.21 96.94 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.2 -0.938 . . . . 0.0 109.396 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.828 ' NE1' HD21 ' A' ' 158' ' ' LEU . 37.7 m95 -61.94 -36.89 82.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -0.912 . . . . 0.0 108.655 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.461 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.49 -40.65 89.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.538 -0.726 . . . . 0.0 109.312 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 79.8 m -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.08 -42.12 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 109.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 97' ' ' THR . 74.4 mt -62.3 -40.43 96.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.329 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 151' ' ' ILE . 31.0 m-85 -65.31 -43.11 92.11 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 0.0 110.379 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.3 p -65.24 -31.15 72.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.03 -1.044 . . . . 0.0 109.822 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.97 76.76 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.757 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.402 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.7 mt -59.41 -43.25 89.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 110.28 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.775 HD22 HG23 ' A' ' 144' ' ' THR . 81.4 mt -68.02 -44.79 75.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 110.225 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.582 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -68.0 -45.85 72.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.454 -0.779 . . . . 0.0 111.265 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.5 mt -61.4 -32.09 72.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.315 -0.866 . . . . 0.0 111.758 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -136.77 57.22 1.77 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.842 -1.161 . . . . 0.0 111.1 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.96 -38.93 93.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.972 -1.08 . . . . 0.0 109.295 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.57 -29.25 68.56 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.553 -0.717 . . . . 0.0 111.434 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.425 HD22 ' HE2' ' A' ' 90' ' ' LYS . 18.2 t30 -91.78 0.67 57.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.678 -1.264 . . . . 0.0 110.502 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.3 mt -118.66 125.92 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.305 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.5 m -70.97 160.24 33.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.364 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.34 -38.87 92.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.209 -0.932 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.7 m -65.79 -44.7 84.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 0.0 109.385 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.38 -38.62 90.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.775 HG23 HD22 ' A' ' 132' ' ' LEU . 46.6 m -61.41 -39.03 89.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.316 -0.865 . . . . 0.0 109.298 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -57.48 -40.02 77.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.7 m -61.39 -41.53 97.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 132' ' ' LEU . 82.2 mt -66.47 -41.17 89.42 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.365 -0.835 . . . . 0.0 109.453 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.04 -36.05 78.53 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.423 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.418 ' HZ1' ' CD ' ' B' ' 162' ' ' GLU . 45.1 tttp -61.38 -41.34 96.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.246 -0.909 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.555 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 67.1 mtt85 -61.53 -42.15 98.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.008 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.9 mt -65.11 -39.87 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 3.2 mmtt -60.76 -42.48 97.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.568 -0.708 . . . . 0.0 109.559 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.617 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 46.5 t80 -57.27 -43.41 83.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -64.86 -43.4 93.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -58.6 -43.96 89.71 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.364 -0.835 . . . . 0.0 109.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.4 ' O ' ' OG ' ' A' ' 159' ' ' SER . 92.7 mt -69.73 -50.41 49.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.124 -0.985 . . . . 0.0 110.768 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.6 m-85 -66.82 -35.87 81.06 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 110.575 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.828 HD21 ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -60.28 -36.36 77.67 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.054 -1.028 . . . . 0.0 108.253 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 85.3 p -69.43 -43.03 74.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.464 -0.772 . . . . 0.0 109.905 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 166' ' ' ILE . 8.1 mtpm? -63.01 -37.75 88.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.353 -0.842 . . . . 0.0 109.581 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.51 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.2 mt -63.49 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.588 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.81 -31.28 70.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.422 -0.798 . . . . 0.0 110.73 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -86.3 -2.03 58.03 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.884 -1.135 . . . . 0.0 110.111 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.15 79.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -74.4 -28.52 61.12 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.202 -1.175 . . . . 0.0 109.229 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.646 HD11 ' NZ ' ' A' ' 160' ' ' LYS . 22.7 mm -107.83 133.45 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.349 -0.844 . . . . 0.0 109.08 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . 0.492 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.179 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.577 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.5 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.448 ' N ' HG22 ' B' ' 128' ' ' ILE . 22.1 m120 -75.36 20.21 0.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.615 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.26 -41.71 92.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.574 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -70.49 -42.8 70.89 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.545 -0.862 . . . . 0.0 108.904 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.6 -42.75 77.73 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.536 0.684 . . . . 0.0 109.796 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 110.01 -179.166 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.2 mtp . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.839 0.828 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.52 -33.72 75.47 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.125 -0.984 . . . . 0.0 108.586 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.7 -36.38 76.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.24 -34.6 68.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . 0.475 ' CG1' HD21 ' A' ' 95' ' ' ASN . 55.4 mt -67.62 -31.11 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.492 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.21 -37.59 69.86 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.22 -36.02 74.68 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.66 85.05 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.85 -39.12 71.0 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.976 -1.308 . . . . 0.0 107.643 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.0 tt0 -59.17 -33.4 70.88 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.958 HD21 HD12 ' A' ' 105' ' ' LEU . 1.6 tm? -54.55 -45.8 73.53 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.75 -40.65 93.21 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 108.998 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.553 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.1 tm-20 -63.0 -40.18 96.98 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.384 -0.822 . . . . 0.0 109.748 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.68 -50.2 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 110.415 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.617 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.53 -33.19 75.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.14 -0.975 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . 0.439 ' HB1' HD21 ' B' ' 159' ' ' ASN . . . -61.05 -41.43 96.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.555 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -64.19 -36.96 85.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.028 -1.045 . . . . 0.0 109.717 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.7 t-20 -60.37 -39.45 87.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.264 -0.897 . . . . 0.0 109.683 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.1 m120 163.38 108.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.396 -0.815 . . . . 0.0 109.134 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . 0.439 HD21 ' HB1' ' B' ' 155' ' ' ALA . 24.9 m120 -58.28 -35.75 72.25 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.117 -0.99 . . . . 0.0 109.103 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.9 p -82.21 0.61 40.35 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -75.95 101.92 1.5 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' B' ' 163' ' ' LEU . 1.2 tm-20 -124.02 173.21 8.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.478 -1.013 . . . . 0.0 109.543 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.561 ' H ' ' CD ' ' B' ' 162' ' ' GLU . 6.8 mp -60.11 -36.2 76.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.183 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.98 -33.58 72.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.814 . . . . 0.0 109.579 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.66 -20.6 58.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 34.1 mt -102.83 134.14 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.4 p -58.5 70.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.406 -0.809 . . . . 0.0 110.488 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.0 t0 -64.1 -37.81 88.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.147 -0.971 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.14 -49.25 75.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.034 . . . . 0.0 111.346 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.54 -43.58 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.901 -1.124 . . . . 0.0 109.579 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.1 -38.42 88.81 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.694 -0.628 . . . . 0.0 110.575 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 92.0 m-20 -61.68 -42.91 99.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.09 -1.006 . . . . 0.0 110.345 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.062 -1.024 . . . . 0.0 109.723 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.4 mt-10 -65.39 -38.39 89.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 110.419 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 0.488 HD21 HD23 ' A' ' 158' ' ' LEU . 18.5 tp -67.13 -34.87 78.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.904 -1.123 . . . . 0.0 110.51 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 28.3 m-20 -61.87 -36.85 82.48 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 108.64 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.47 68.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 108.565 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.1 mt -65.16 -36.7 85.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.509 -0.745 . . . . 0.0 110.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -62.64 -38.36 89.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.081 -1.012 . . . . 0.0 110.004 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -61.89 -42.5 99.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 0.0 110.24 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' B' ' 182' ' ' ASP . 2.9 pp20? -85.83 -33.42 21.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.183 -0.948 . . . . 0.0 110.036 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.551 ' N ' ' CD ' ' B' ' 181' ' ' GLU . 47.0 t0 -64.16 -33.73 76.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.0 108.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.301 -1.529 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 8' ' ' VAL . 20.0 t-20 -60.7 -38.58 85.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.274 -0.892 . . . . 0.0 109.209 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.592 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.15 -39.69 93.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.456 -0.777 . . . . 0.0 109.534 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.54 89.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.03 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -59.87 -40.59 89.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 94.1 t -60.53 -39.91 82.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.11 -46.33 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 108.924 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.63 79.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 108.671 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -61.2 -38.77 87.75 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 108.736 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -60.44 -31.34 70.32 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.372 -0.83 . . . . 0.0 108.991 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -60.76 -39.96 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 23' ' ' ILE . 65.1 m-85 -63.45 -39.75 95.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.0 109.646 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.104 -0.998 . . . . 0.0 108.918 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -60.75 -33.63 73.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.424 -0.798 . . . . 0.0 109.162 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.08 -6.42 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.839 . . . . 0.0 109.922 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 5.4 62.86 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.999 -1.096 . . . . 0.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 20' ' ' LEU . 47.1 mt -94.25 57.72 2.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.321 . . . . 0.0 109.433 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.46 -32.21 68.12 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.82 -43.22 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.248 . . . . 0.0 109.507 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.5 mm -67.37 -46.71 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.999 -1.063 . . . . 0.0 108.86 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.58 79.37 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 76.7 t80 -58.78 -50.16 74.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -1.087 . . . . 0.0 109.77 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 48.8 m-85 -67.67 -36.16 80.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.251 -0.906 . . . . 0.0 110.198 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.1 mt -63.06 -42.3 99.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.038 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -61.03 -39.45 89.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 108.384 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -38.7 91.95 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE1' HD11 ' A' ' 34' ' ' LEU . 58.0 t80 -63.36 -44.37 95.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.55 84.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.176 -0.953 . . . . 0.0 110.191 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.34 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 110.179 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.591 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -65.52 -32.14 73.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.781 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.52 -46.05 91.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 109.735 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.76 -42.32 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 36' ' ' LEU . 88.4 mt -63.4 -36.86 85.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.421 -0.8 . . . . 0.0 109.741 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -68.16 -11.05 58.52 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.98 123.63 35.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.78 -36.43 80.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -89.79 125.89 35.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.985 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -138.7 122.85 18.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -80.79 163.92 23.11 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -55.05 -36.46 65.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.898 -1.126 . . . . 0.0 108.631 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.98 -43.88 74.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 0.0 109.699 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -66.36 -40.06 89.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.572 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 m -63.39 -44.04 95.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.333 -0.854 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.85 -34.29 75.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.519 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.38 -40.91 98.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.631 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.8 91.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.95 -45.87 92.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 110.437 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.89 -38.12 78.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.875 . . . . 0.0 109.828 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.79 -37.72 88.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.47 -39.23 79.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.002 -1.061 . . . . 0.0 109.322 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.43 -42.5 99.5 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.365 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -65.39 -44.67 86.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -51.49 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 0.0 109.229 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -37.35 83.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.55 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.25 85.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.0 t80 -66.09 -48.4 71.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.832 . . . . 0.0 109.577 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 64' ' ' GLY . 36.9 tttt -62.57 -35.35 79.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.539 -0.725 . . . . 0.0 109.318 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.96 -34.75 78.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.21 -31.81 70.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.364 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 63' ' ' ILE . 5.0 mt -122.87 11.89 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.62 -0.675 . . . . 0.0 109.808 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.16 -37.26 46.19 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.01 66.31 Favored Glycine 0 N--CA 1.488 2.131 0 O-C-N 121.166 -1.196 . . . . 0.0 110.197 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.47 -38.16 76.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.763 -1.433 . . . . 0.0 108.945 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -28.68 1.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.53 -31.93 73.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -61.54 -35.74 78.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.349 -0.844 . . . . 0.0 109.259 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.13 -37.65 77.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 108.974 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.78 -40.81 89.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.77 -61.11 1.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.775 . . . . 0.0 108.979 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 67.0 -18.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.576 -0.702 . . . . 0.0 109.87 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' A' ' 72' ' ' SER . 52.2 mttm -93.17 -80.74 0.37 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.334 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.8 p -67.89 -35.85 79.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 110.217 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 76' ' ' LEU . 36.5 tp -65.59 -36.27 83.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.863 -1.148 . . . . 0.0 109.53 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.441 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.4 t60 -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.142 -0.974 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.64 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.66 -40.85 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 108.599 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.438 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.0 ttt -58.3 -36.5 73.44 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.35 -32.43 71.26 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.338 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.592 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 23.2 m -56.97 -37.31 71.41 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 69.5 mt -60.54 -40.39 91.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.532 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 63' ' ' ILE . 56.1 mt -86.22 -45.32 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.157 -0.964 . . . . 0.0 111.527 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.569 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.8 m-70 -76.11 -47.83 22.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 111.34 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -81.94 102.41 10.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.808 -1.183 . . . . 0.0 109.715 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -63.66 -35.16 79.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.407 -0.808 . . . . 0.0 109.861 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.32 -47.11 87.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.262 -0.899 . . . . 0.0 109.962 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' B' ' 130' ' ' ILE . 45.0 tptt -64.29 -43.26 95.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.142 -0.974 . . . . 0.0 109.046 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.2 -37.92 89.21 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.64 -45.18 73.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.748 . . . . 0.0 109.61 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.34 -44.17 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.161 -0.962 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -63.81 -45.04 91.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.258 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 108.902 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.33 -41.19 98.35 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' B' ' 140' ' ' MET . 92.1 m-20 -62.9 -41.02 99.28 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.429 -0.794 . . . . 0.0 109.754 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.31 -48.94 71.34 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.911 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.2 m -63.69 -46.02 87.4 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.421 -0.8 . . . . 0.0 109.138 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 92.3 mmm -63.21 -40.07 96.44 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.185 -0.947 . . . . 0.0 109.551 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -63.69 -46.92 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.01 -42.56 80.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.194 -0.941 . . . . 0.0 108.627 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.725 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.9 t80 -60.78 -41.21 95.08 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.068 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.95 -40.55 95.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.876 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.91 -40.08 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.714 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.419 ' HZ2' ' HA ' ' A' ' 104' ' ' LYS . 4.8 mmtm -63.43 -45.45 90.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.982 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 101' ' ' TYR . 52.7 mt -69.01 -36.15 77.47 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 33.8 tttp -60.26 -45.95 91.5 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.577 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.8 mt-30 -64.09 -36.73 84.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.0 tp -58.88 -32.73 69.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 69.4 tttt -59.13 -39.58 82.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.678 -0.639 . . . . 0.0 110.126 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.23 -22.81 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.264 -0.897 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.48 156.8 3.17 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.56 141.26 85.57 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.838 2.359 . . . . 0.0 112.579 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.8 m-90 -106.08 137.03 44.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -153.89 172.95 16.6 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.971 -1.081 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.35 -39.92 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.329 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -57.28 -42.4 81.59 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.013 -1.054 . . . . 0.0 108.64 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.577 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.7 tp -62.3 -36.89 83.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.457 -0.777 . . . . 0.0 108.925 178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.8 tttt -56.69 -47.34 80.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.485 -0.759 . . . . 0.0 109.857 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -66.43 -36.22 82.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.518 -0.739 . . . . 0.0 109.563 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -60.95 -40.54 93.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 110.299 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.73 -39.44 94.07 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.022 -1.049 . . . . 0.0 108.779 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.914 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.2 m95 -63.41 -39.18 93.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -42.37 96.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.751 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.31 -40.16 93.15 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.271 -0.893 . . . . 0.0 109.701 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.0 110.081 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.23 -42.38 96.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.044 -1.035 . . . . 0.0 110.064 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.58 -39.61 94.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 110.179 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 151' ' ' ILE . 14.5 m-85 -64.32 -43.95 93.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.977 . . . . 0.0 110.179 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -62.03 -36.99 83.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 87.5 m -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.97 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.8 mt -59.03 -43.82 89.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.104 -0.997 . . . . 0.0 110.253 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 147' ' ' LEU . 80.5 mt -69.47 -45.32 69.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.591 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -67.12 -45.68 76.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.827 . . . . 0.0 110.928 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 134' ' ' LEU . 93.2 mt -62.18 -30.54 71.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 111.637 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -137.57 55.28 1.8 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 111.482 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -62.49 -37.85 87.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.123 . . . . 0.0 109.341 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.01 -29.66 68.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.553 -0.717 . . . . 0.0 111.339 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.41 HD22 ' HE2' ' A' ' 90' ' ' LYS . 15.4 t30 -91.87 0.83 57.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.744 -1.223 . . . . 0.0 110.426 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.06 126.32 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.332 -0.855 . . . . 0.0 109.276 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.86 160.0 33.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.0 109.436 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -65.01 -38.3 90.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.182 -0.949 . . . . 0.0 109.398 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.0 m -64.79 -45.4 86.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.9 p -65.96 -34.15 77.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.234 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.604 HG23 HD22 ' A' ' 132' ' ' LEU . 47.6 m -63.6 -40.69 97.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.82 . . . . 0.0 109.322 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.17 -39.11 78.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.87 -41.92 98.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 132' ' ' LEU . 89.6 mt -67.08 -41.24 86.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.396 -0.815 . . . . 0.0 109.73 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.03 -37.0 81.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 109.337 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.17 -40.39 95.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.852 . . . . 0.0 108.852 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.6 mtt180 -61.39 -42.09 98.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 108.917 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.4 mt -64.98 -43.04 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.586 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.7 mmtt -61.13 -38.72 87.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.658 -0.651 . . . . 0.0 109.579 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.844 ' OH ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -57.91 -43.8 86.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.96 -40.28 91.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 108.677 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.0 -43.71 91.54 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 0.0 109.485 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.484 ' CG2' HG21 ' B' ' 166' ' ' ILE . 86.2 mt -69.32 -49.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.893 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.278 -0.889 . . . . 0.0 110.841 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 1.074 HD23 HD11 ' B' ' 175' ' ' LEU . 31.5 tp -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.627 ' HB2' HD23 ' B' ' 175' ' ' LEU . 37.3 t -65.07 -45.44 85.29 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.627 -0.67 . . . . 0.0 110.116 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -60.43 -38.58 84.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.447 -0.783 . . . . 0.0 110.105 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.434 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.8 mt -60.03 -35.67 75.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 0.0 108.968 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -29.4 69.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.341 -0.85 . . . . 0.0 109.886 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -78.67 -16.02 57.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.129 -0.982 . . . . 0.0 109.289 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.33 78.15 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.64 -28.84 61.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.535 -0.979 . . . . 0.0 109.816 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.434 ' HB ' HD23 ' A' ' 161' ' ' LEU . 17.2 mm -102.11 130.8 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 109.015 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.608 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ILE . . . . . 0.637 HG22 ' ND2' ' B' ' 129' ' ' ASN . 76.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ASN . . . . . 0.637 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.8 m120 -78.0 20.24 0.38 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' ILE . . . . . 0.64 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -65.07 -41.86 93.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -71.69 -41.76 68.26 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -66.8 -46.75 74.23 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.64 0.733 . . . . 0.0 109.38 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 121.719 0.771 . . . . 0.0 109.004 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' MET . . . . . 0.58 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.9 mtp . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 122.075 0.941 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.68 -32.59 69.26 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 108.507 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.92 -34.44 71.72 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.332 -0.855 . . . . 0.0 108.814 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 143' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' B' ' 143' ' ' LEU . 2.6 mm? -60.34 -34.38 73.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 108.578 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.55 -32.28 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.025 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.5 -38.92 78.65 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.7 -35.81 75.27 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.48 84.98 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.81 -39.68 71.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.27 . . . . 0.0 107.8 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.4 tt0 -61.65 -33.39 73.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' LEU . . . . . 0.71 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.8 tt -54.93 -43.35 73.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.58 -40.72 97.79 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.392 -0.817 . . . . 0.0 108.912 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 152' ' ' GLU . . . . . 0.554 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.0 tm-20 -62.68 -39.16 93.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.489 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.17 -50.52 76.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.354 -0.841 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 154' ' ' LEU . . . . . 0.844 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.75 -33.27 75.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.154 -0.966 . . . . 0.0 109.081 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.3 93.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.8 mtp -63.92 -38.97 93.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.074 -1.016 . . . . 0.0 109.478 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 157' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.5 t-20 -60.75 -38.68 85.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.396 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 158' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 5.0 m-20 166.48 107.17 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.46 -0.775 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.07 -35.01 70.75 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.098 -1.002 . . . . 0.0 108.787 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 51.7 p -83.5 0.71 45.24 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.59 98.32 0.07 OUTLIER Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -119.97 154.66 34.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.975 . . . . 0.0 109.177 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 163' ' ' LEU . . . . . 0.665 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -54.61 -32.89 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.288 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.28 -33.1 70.65 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.277 -0.889 . . . . 0.0 109.434 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.31 -24.5 57.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 109.553 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 166' ' ' ILE . . . . . 0.601 ' O ' ' N ' ' B' ' 168' ' ' ASP . 38.1 mt -101.21 132.68 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.15 -0.969 . . . . 0.0 108.565 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -58.5 70.25 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.412 -0.805 . . . . 0.0 110.357 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 168' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.6 t0 -60.87 -36.9 80.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.058 -1.026 . . . . 0.0 111.017 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.63 72.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.0 111.893 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -43.57 65.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.674 -1.266 . . . . 0.0 109.785 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.85 -38.22 89.95 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 110.146 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 172' ' ' ASP . . . . . 0.586 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 94.1 m-20 -61.01 -41.17 96.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 110.593 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.92 92.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.092 -1.005 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.42 -35.9 82.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.155 -0.966 . . . . 0.0 109.972 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . 1.074 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.89 -42.56 99.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 110.574 -179.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.58 -40.25 96.47 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.992 -1.067 . . . . 0.0 109.729 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.61 71.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.06 -1.025 . . . . 0.0 108.986 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.3 -32.22 73.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.879 . . . . 0.0 109.409 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 179' ' ' ALA . . . . . 0.457 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.11 -44.32 83.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.34 -39.3 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.837 . . . . 0.0 109.067 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 181' ' ' GLU . . . . . 0.481 ' OE1' ' OD1' ' B' ' 182' ' ' ASP . 3.8 tm-20 -72.95 -42.67 63.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 182' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 67.9 m-20 -70.39 -34.54 72.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.56 -0.713 . . . . 0.0 110.183 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.421 -179.091 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.32 -35.72 78.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 109.415 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -60.99 -32.1 71.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.182 -0.949 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -37.77 82.77 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.267 -0.896 . . . . 0.0 109.341 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.893 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.58 -40.26 96.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.333 -0.855 . . . . 0.0 109.256 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.08 -43.99 90.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 109.278 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -59.96 -44.34 94.48 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.344 -0.848 . . . . 0.0 109.19 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.58 -42.89 95.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.46 -46.11 90.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.313 -0.867 . . . . 0.0 109.48 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.92 85.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 108.964 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -61.84 -39.47 91.94 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.44 -0.787 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.24 87.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.286 -0.884 . . . . 0.0 109.043 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -61.42 -33.04 73.03 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.409 -0.807 . . . . 0.0 109.475 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.0 -42.72 98.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.367 -0.833 . . . . 0.0 109.757 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.441 ' CE1' HG21 ' A' ' 23' ' ' ILE . 82.4 m-85 -64.12 -37.43 87.43 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.273 -0.892 . . . . 0.0 109.719 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.0 -42.32 98.21 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.06 -1.025 . . . . 0.0 108.874 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.25 -30.83 70.69 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.25 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.521 -0.737 . . . . 0.0 109.77 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.07 4.88 62.79 Favored Glycine 0 N--CA 1.493 2.452 0 C-N-CA 120.018 -1.087 . . . . 0.0 110.441 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' H ' HG12 ' A' ' 18' ' ' VAL . 81.6 mt -96.9 62.33 1.87 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.053 -1.263 . . . . 0.0 109.135 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.95 -32.87 76.5 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.732 HD11 ' CE ' ' A' ' 79' ' ' MET . 76.9 mt -57.48 -43.2 82.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 120.995 -1.297 . . . . 0.0 109.634 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG21 ' CE1' ' A' ' 15' ' ' PHE . 34.0 mm -67.02 -49.12 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.03 -1.044 . . . . 0.0 108.824 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.35 79.94 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.695 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 80.2 t80 -58.59 -48.63 80.31 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.417 -1.049 . . . . 0.0 109.959 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.1 m-85 -67.57 -36.56 81.16 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.146 -0.971 . . . . 0.0 110.286 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.46 -41.61 98.88 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 0.0 109.951 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.33 -39.74 94.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.123 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.24 -39.54 92.83 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.403 -0.81 . . . . 0.0 109.45 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.5 t80 -63.38 -45.66 90.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.398 -0.814 . . . . 0.0 110.042 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.56 -35.53 81.13 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.257 -0.902 . . . . 0.0 110.045 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -59.86 -51.15 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 110.002 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -67.01 -30.41 70.5 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.893 HD23 ' HB2' ' A' ' 5' ' ' ALA . 5.6 tp -60.44 -44.39 95.86 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.239 0.543 . . . . 0.0 109.555 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.07 -44.75 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.295 -0.878 . . . . 0.0 109.329 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.6 -37.45 87.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.476 -0.765 . . . . 0.0 109.795 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -77.0 1.3 18.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.468 -0.77 . . . . 0.0 109.29 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -93.5 126.27 38.56 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.176 -0.953 . . . . 0.0 109.246 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.0 -36.29 81.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.286 -0.884 . . . . 0.0 109.862 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -93.87 125.67 38.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 110.077 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -137.54 142.57 41.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.372 -0.83 . . . . 0.0 109.568 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.21 162.64 16.29 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -53.58 -35.4 60.78 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.913 -1.117 . . . . 0.0 108.716 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.54 -43.04 73.78 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.304 -0.873 . . . . 0.0 109.931 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.1 mtp -70.44 -41.33 72.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.823 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.7 m -62.87 -44.28 96.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.332 -0.855 . . . . 0.0 109.453 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.95 73.7 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.349 -0.845 . . . . 0.0 109.694 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.21 -39.34 92.47 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.262 -0.899 . . . . 0.0 109.717 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.29 95.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.166 -0.958 . . . . 0.0 109.466 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.8 -45.99 92.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.315 -0.866 . . . . 0.0 110.352 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.22 -37.62 77.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.621 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.26 -37.87 88.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.193 -0.942 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.58 -39.66 80.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.966 -1.084 . . . . 0.0 109.365 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.01 -42.21 98.91 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.424 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.8 m -65.15 -45.96 82.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.331 -0.855 . . . . 0.0 109.917 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -56.31 -51.17 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.308 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.31 -39.16 93.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.64 -41.59 88.05 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.236 -0.915 . . . . 0.0 109.007 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.695 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.5 t80 -67.61 -48.84 65.63 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.419 -0.801 . . . . 0.0 109.765 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 50.8 tttt -63.51 -39.81 95.41 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.0 109.176 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -63.01 -33.81 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.02 -31.28 68.68 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.528 -0.733 . . . . 0.0 109.241 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.678 ' O ' HG22 ' A' ' 63' ' ' ILE . 77.3 mt -124.16 9.53 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.542 -0.723 . . . . 0.0 109.892 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.17 -37.62 64.73 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.42 1.38 64.36 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 110.179 -1.169 . . . . 0.0 110.179 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.17 -37.86 75.52 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.993 -1.298 . . . . 0.0 109.056 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -134.86 -29.33 1.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.17 -30.78 71.86 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.65 81.18 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.02 -43.65 82.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.092 -1.005 . . . . 0.0 108.361 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -64.98 -39.43 93.46 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.7 t -161.41 96.91 1.08 Allowed 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.19 6.79 48.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.288 -0.882 . . . . 0.0 109.604 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -94.59 -75.05 0.52 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.208 -0.932 . . . . 0.0 109.899 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.6 p -66.99 -38.48 86.11 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.397 -0.814 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.554 HD11 HG23 ' A' ' 63' ' ' ILE . 32.2 tp -67.58 -35.39 78.9 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.616 -1.302 . . . . 0.0 109.638 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.3 t60 -60.14 -45.12 94.12 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.624 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.06 -42.7 96.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 108.306 179.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.732 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.4 ttt -58.87 -36.71 75.05 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.58 -32.92 71.99 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.869 -1.159 . . . . 0.0 107.869 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.9 m -56.67 -37.74 71.24 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.2 mt -60.41 -40.75 92.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.541 -0.724 . . . . 0.0 109.67 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 25' ' ' TYR . 83.0 mt -85.97 -45.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 121.175 -0.953 . . . . 0.0 111.294 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.4 m-70 -72.84 -46.52 52.59 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 111.097 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -81.29 100.88 9.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.868 -1.145 . . . . 0.0 109.416 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.42 -37.07 86.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.393 -0.817 . . . . 0.0 110.277 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.5 tt0 -62.81 -47.46 83.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.0 110.343 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -65.78 -41.88 91.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.129 -0.982 . . . . 0.0 109.381 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.28 -37.81 88.7 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.388 -0.82 . . . . 0.0 108.91 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -44.86 68.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.469 -0.769 . . . . 0.0 109.597 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.62 -45.9 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.22 -0.925 . . . . 0.0 109.884 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -64.17 -43.61 94.61 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.095 -1.003 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 tpt -62.35 -41.63 98.75 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.229 -0.919 . . . . 0.0 108.674 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.2 tp -65.68 -42.28 91.45 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.2 m120 -62.61 -41.63 99.1 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.422 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -65.67 -49.23 69.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.329 -0.857 . . . . 0.0 108.971 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.525 ' OG1' HD11 ' A' ' 131' ' ' ILE . 54.2 m -63.3 -44.96 93.54 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.384 -0.823 . . . . 0.0 109.141 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.7 mmm -63.74 -38.14 90.01 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.305 -0.872 . . . . 0.0 109.628 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.0 m -62.18 -46.26 89.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.93 -46.73 73.87 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -60.44 -42.5 96.25 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.685 -0.634 . . . . 0.0 109.81 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' B' ' 150' ' ' LEU . 55.1 t-20 -60.13 -39.3 85.79 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.266 -0.896 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.47 -40.02 96.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.227 -0.92 . . . . 0.0 110.094 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HB3' HD21 ' A' ' 121' ' ' LEU . 47.9 mmtt -62.76 -45.09 94.29 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.093 -1.005 . . . . 0.0 109.888 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.989 HD22 HD11 ' B' ' 150' ' ' LEU . 11.0 mp -67.29 -36.58 81.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.019 -1.05 . . . . 0.0 108.849 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.2 tttp -60.89 -44.99 96.35 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.6 mt-30 -62.3 -36.65 82.79 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -57.75 -32.52 67.54 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -59.22 -41.89 89.7 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.741 -0.599 . . . . 0.0 109.921 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.2 m-20 -167.46 -5.72 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.232 -0.917 . . . . 0.0 111.048 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -65.37 156.67 48.11 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -62.95 137.48 62.7 Favored 'Trans proline' 0 C--N 1.309 -1.548 0 C-N-CA 122.782 2.321 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.438 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.03 135.1 48.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 109.087 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.02 172.68 17.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.02 -1.05 . . . . 0.0 110.423 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.56 -38.8 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.71 -0.619 . . . . 0.0 109.46 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.63 -42.49 75.05 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.946 -1.096 . . . . 0.0 108.792 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.3 tp -62.45 -35.96 80.92 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.856 . . . . 0.0 108.975 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.508 ' HG3' HD11 ' A' ' 158' ' ' LEU . 78.2 tttt -57.48 -47.22 82.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.46 -0.775 . . . . 0.0 110.042 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -67.04 -39.44 86.97 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.434 -0.791 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 12.4 m -63.04 -39.51 94.96 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.292 -0.88 . . . . 0.0 109.989 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.6 mt -61.84 -41.18 97.5 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.177 -0.952 . . . . 0.0 109.474 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.864 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.0 m95 -62.26 -37.05 83.95 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.316 -0.865 . . . . 0.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -41.97 92.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.404 -0.81 . . . . 0.0 109.636 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -40.76 96.92 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.666 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.58 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -56.92 -42.4 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.872 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -62.18 -40.49 96.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.23 -0.919 . . . . 0.0 110.082 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.09 -40.63 94.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.328 -0.858 . . . . 0.0 110.478 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.733 ' HB3' HD11 ' A' ' 151' ' ' ILE . 32.4 m-85 -64.3 -44.23 92.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.954 -1.091 . . . . 0.0 110.178 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 t -61.83 -36.55 81.49 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.1 -1.0 . . . . 0.0 109.683 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.58 -43.06 85.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.892 . . . . 0.0 109.787 -179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.579 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.144 -0.973 . . . . 0.0 110.202 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.868 HD21 HD12 ' A' ' 147' ' ' LEU . 88.6 mt -68.46 -45.13 73.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.056 -1.027 . . . . 0.0 110.192 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.475 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 16.9 t60 -67.32 -42.94 82.8 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.276 -0.89 . . . . 0.0 111.035 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 134' ' ' LEU . 86.7 mt -61.12 -31.9 71.6 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.188 -0.945 . . . . 0.0 111.594 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -140.47 57.13 1.59 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.759 -1.213 . . . . 0.0 111.296 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -61.69 -37.56 84.55 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.826 -1.172 . . . . 0.0 109.061 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.27 -28.57 68.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.495 -0.753 . . . . 0.0 111.058 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.442 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.7 t30 -91.76 -0.62 57.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.843 -1.16 . . . . 0.0 110.282 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.6 mt -117.93 125.9 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.39 -0.819 . . . . 0.0 109.158 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 159.91 33.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.486 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -40.54 97.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.208 -0.933 . . . . 0.0 109.343 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.3 m -64.92 -44.5 89.31 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 109.4 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 m -62.56 -38.82 91.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.323 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.699 HG23 HD22 ' A' ' 132' ' ' LEU . 47.5 m -61.67 -39.51 91.66 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.372 -0.83 . . . . 0.0 109.431 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.89 -38.55 75.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.32 -0.862 . . . . 0.0 109.675 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.487 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.0 m -61.84 -41.62 98.03 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.171 -0.956 . . . . 0.0 109.214 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.868 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -66.58 -41.23 88.88 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.369 -0.832 . . . . 0.0 109.521 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -60.93 -36.66 79.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.471 -0.768 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 18.7 tttp -61.78 -41.8 98.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 109.074 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.487 ' NH1' ' O ' ' A' ' 146' ' ' SER . 66.7 mtt85 -62.05 -41.82 98.53 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.232 -0.917 . . . . 0.0 108.977 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 128' ' ' PHE . 83.5 mt -65.38 -43.03 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.587 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.1 mmtt -61.22 -40.49 94.18 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.651 -0.656 . . . . 0.0 109.699 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.681 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 47.3 t80 -57.32 -43.6 83.44 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.395 -0.816 . . . . 0.0 108.848 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.1 m -65.3 -40.8 94.25 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.292 -0.88 . . . . 0.0 108.831 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.352 -0.843 . . . . 0.0 109.618 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.74 -50.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 110.425 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.784 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.8 m-85 -66.81 -35.64 80.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.276 -0.89 . . . . 0.0 110.495 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.864 HD21 ' NE1' ' A' ' 122' ' ' TRP . 38.8 tp -59.64 -38.76 82.26 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.009 -1.057 . . . . 0.0 108.299 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.8 t -66.61 -45.01 80.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.248 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.69 -38.46 85.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.575 -0.703 . . . . 0.0 109.364 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.7 mt -64.66 -42.33 95.48 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.334 -0.854 . . . . 0.0 109.662 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.547 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.43 -25.18 62.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.429 -0.794 . . . . 0.0 109.672 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.561 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.4 mtpt -83.16 -3.46 57.38 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.301 -0.874 . . . . 0.0 109.776 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.75 13.08 83.92 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -74.97 -29.63 60.97 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.281 -1.129 . . . . 0.0 109.743 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -107.04 133.18 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.228 -0.92 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.979 -1.456 . . . . 0.0 109.55 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.539 ' C ' ' H ' ' B' ' 130' ' ' ILE . 83.6 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.499 ' N ' HG22 ' B' ' 128' ' ' ILE . 14.8 m120 -75.35 19.79 0.17 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.624 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -65.22 -41.89 92.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.538 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.0 m-20 -74.57 -41.7 60.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.423 ' HD2' HD22 ' B' ' 129' ' ' ASN . 50.6 mttm -66.87 -40.34 87.79 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.499 0.666 . . . . 0.0 109.957 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.03 -48.69 79.17 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.395 -0.815 . . . . 0.0 110.452 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.5 ' O ' ' OD1' ' B' ' 135' ' ' ASP . 50.0 mt-30 -74.69 -41.36 60.38 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.555 -0.716 . . . . 0.0 110.224 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.5 ' OD1' ' O ' ' B' ' 134' ' ' GLN . 95.6 m-20 -140.27 -120.37 0.12 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.275 -0.891 . . . . 0.0 109.896 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 87.1 mtp -120.08 -174.01 2.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.613 -0.679 . . . . 0.0 109.772 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.04 -26.33 15.46 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.352 -0.842 . . . . 0.0 109.686 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -49.08 148.66 2.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.616 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -89.4 155.77 19.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.413 -0.804 . . . . 0.0 109.399 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.484 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm -57.05 -38.77 73.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.011 -1.055 . . . . 0.0 108.899 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 141' ' ' LEU . 92.1 mt -61.87 -34.77 76.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.279 -0.888 . . . . 0.0 108.96 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -60.3 -36.85 78.84 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.27 -33.65 67.84 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.77 -30.13 47.44 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.4 -38.16 73.84 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . 0.434 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.8 mt-30 -59.66 -36.17 75.88 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -33.5 84.98 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.257 -1.937 . . . . 0.0 108.257 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.47 -38.73 72.09 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.063 -1.257 . . . . 0.0 107.968 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.403 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.6 tt0 -60.4 -34.72 74.33 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.989 HD11 HD22 ' A' ' 105' ' ' LEU . 6.8 tt -55.79 -42.96 76.34 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 0.0 108.743 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -58.7 -41.43 86.29 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.25 -37.97 87.46 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.448 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.1 t -65.04 -51.1 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.346 -0.846 . . . . 0.0 110.266 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.681 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.8 mm? -66.94 -33.26 75.18 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.201 -0.937 . . . . 0.0 109.058 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.37 96.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.344 -0.847 . . . . 0.0 109.61 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.6 mtp -65.17 -39.96 93.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.019 -1.051 . . . . 0.0 109.492 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.479 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.03 -39.18 88.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.306 -0.871 . . . . 0.0 109.359 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.479 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 1.0 OUTLIER 170.27 106.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.468 -0.77 . . . . 0.0 109.131 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.96 -36.11 72.1 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.111 -0.993 . . . . 0.0 108.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -84.58 6.37 24.11 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.77 97.93 0.06 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -118.63 152.95 35.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.534 -0.98 . . . . 0.0 109.142 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.661 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -55.31 -33.41 63.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.398 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.31 -32.6 70.22 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.257 -0.902 . . . . 0.0 109.532 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -75.3 -23.01 57.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.266 -0.896 . . . . 0.0 109.621 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.2 mt -101.88 135.51 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.172 -0.955 . . . . 0.0 108.896 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 89.1 p -59.77 69.17 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.42 -0.8 . . . . 0.0 110.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.4 t0 -64.58 -38.38 90.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.242 -0.911 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.84 77.08 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.042 -1.036 . . . . 0.0 111.395 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.41 -43.11 67.41 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.889 -1.132 . . . . 0.0 109.823 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.16 -38.16 90.07 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.523 -0.736 . . . . 0.0 110.228 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.587 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.1 m-20 -60.64 -43.12 97.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.175 -0.953 . . . . 0.0 110.506 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.74 81.5 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.975 -1.078 . . . . 0.0 109.849 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.561 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.88 -36.74 85.33 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.274 -0.891 . . . . 0.0 110.141 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.553 HD11 HD23 ' A' ' 158' ' ' LEU . 20.9 tp -66.47 -35.79 81.16 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.941 -1.099 . . . . 0.0 110.693 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 27.6 m-20 -61.45 -37.33 83.17 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 120.945 -1.097 . . . . 0.0 108.505 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.73 73.1 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.547 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.8 mt -66.09 -35.44 80.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.409 -0.807 . . . . 0.0 109.929 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.84 -40.92 73.54 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.977 -1.077 . . . . 0.0 108.394 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.63 -34.7 76.13 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.546 -0.721 . . . . 0.0 109.116 179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -61.69 -40.41 94.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.493 -0.754 . . . . 0.0 110.643 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -93.78 -17.65 22.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.053 -1.03 . . . . 0.0 110.847 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -94.7 170.72 9.25 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.044 -1.035 . . . . 0.0 109.413 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.443 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.33 118.96 38.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.44 -0.787 . . . . 0.0 109.129 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.729 ' N ' HD12 ' B' ' 185' ' ' LEU . 7.1 mp -91.66 143.21 27.63 Favored Pre-proline 0 C--N 1.299 -1.607 0 C-N-CA 119.351 -0.94 . . . . 0.0 109.217 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo . . . . . 0 C--N 1.309 -1.55 0 C-N-CA 122.388 2.059 . . . . 0.0 112.154 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.56 -35.71 78.55 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.918 . . . . 0.0 109.459 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.99 -32.74 72.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -60.67 -38.47 85.02 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.189 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.88 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.43 -0.794 . . . . 0.0 109.47 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.95 95.49 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.894 . . . . 0.0 109.519 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -59.97 -39.3 85.2 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 108.823 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.38 -42.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.21 -47.33 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.29 83.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 108.786 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -62.41 -38.98 91.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.435 -0.79 . . . . 0.0 109.135 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.04 91.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.28 -0.888 . . . . 0.0 109.078 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -61.84 -33.3 73.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.303 -0.873 . . . . 0.0 109.694 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -60.06 -40.21 88.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.279 -0.888 . . . . 0.0 109.406 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -63.28 -43.14 98.76 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.953 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.56 -40.8 96.0 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.4 -30.83 71.49 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -87.19 -4.39 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.467 -0.771 . . . . 0.0 109.613 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.39 4.96 62.2 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -101.55 62.97 0.94 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.105 -1.232 . . . . 0.0 109.394 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.3 -36.7 92.86 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.5 mt -57.9 -42.94 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.08 -1.247 . . . . 0.0 109.843 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -65.92 -47.64 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.95 -1.094 . . . . 0.0 108.912 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.91 -32.85 83.47 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 72.5 t80 -58.44 -47.09 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.416 -1.049 . . . . 0.0 109.961 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.466 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 29.7 m-85 -66.37 -34.68 78.51 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.942 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.12 -36.65 84.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.042 -1.036 . . . . 0.0 109.693 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.58 HE22 HG21 ' A' ' 55' ' ' THR . 94.8 mt-30 -59.68 -41.52 90.86 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.139 -0.976 . . . . 0.0 109.748 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 29' ' ' LEU . 7.0 mp -65.72 -39.63 91.39 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.97 -1.081 . . . . 0.0 109.117 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 23.2 t80 -64.93 -44.07 90.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.455 -0.778 . . . . 0.0 110.318 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -37.54 87.49 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.034 -1.041 . . . . 0.0 110.11 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.42 -46.5 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.078 -1.014 . . . . 0.0 110.458 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.36 -32.24 73.61 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.306 -0.871 . . . . 0.0 110.008 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.09 -46.05 92.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.52 -45.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.268 -0.895 . . . . 0.0 109.481 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 36' ' ' LEU . 87.6 mt -64.43 -37.45 87.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.346 -0.846 . . . . 0.0 109.583 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.0 p -68.24 -13.82 62.53 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -86.79 123.83 32.37 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.479 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 -36.02 79.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.829 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -87.11 125.72 34.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.296 -0.878 . . . . 0.0 110.02 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -138.61 143.53 39.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.299 -0.876 . . . . 0.0 109.683 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.13 159.34 20.17 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -52.93 -34.79 56.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.86 -1.15 . . . . 0.0 108.505 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.11 -42.25 72.91 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.296 -0.878 . . . . 0.0 109.908 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.3 mtp -70.37 -41.1 73.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.044 -1.035 . . . . 0.0 109.776 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.1 m -61.92 -42.44 99.1 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.323 -0.86 . . . . 0.0 109.502 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.04 -34.23 77.25 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.369 -0.832 . . . . 0.0 109.793 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.6 tp -62.35 -40.74 97.39 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.237 -0.914 . . . . 0.0 109.601 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.02 88.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 m -62.28 -45.56 92.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 110.416 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.36 -38.1 73.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.731 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.28 -39.65 95.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.239 -0.913 . . . . 0.0 109.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.8 mt -58.3 -38.98 78.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.286 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.82 -42.36 98.92 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.214 -0.929 . . . . 0.0 108.945 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.58 HG21 HE22 ' A' ' 28' ' ' GLN . 81.7 m -64.9 -45.91 83.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.467 -0.771 . . . . 0.0 109.805 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -59.22 -47.56 89.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.507 -0.746 . . . . 0.0 109.94 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.67 -38.33 90.61 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.055 -1.028 . . . . 0.0 109.054 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -41.42 74.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 108.887 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 64.0 t80 -66.15 -48.93 69.18 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.42 -0.8 . . . . 0.0 109.642 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.3 tttt -65.51 -41.62 92.99 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.299 -0.876 . . . . 0.0 109.077 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -63.07 -33.77 76.16 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.51 -31.15 67.63 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.664 ' O ' HG22 ' A' ' 63' ' ' ILE . 78.7 mt -124.24 8.15 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.634 -0.666 . . . . 0.0 109.912 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.25 -37.98 60.68 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 1.43 64.35 Favored Glycine 0 N--CA 1.489 2.213 0 O-C-N 121.199 -1.177 . . . . 0.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.15 -38.7 77.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.894 -1.356 . . . . 0.0 108.95 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.67 -29.14 1.36 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.16 -30.7 71.8 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.88 -38.35 81.96 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.379 -0.826 . . . . 0.0 109.266 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.03 -43.51 81.98 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.35 -39.26 92.12 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -161.29 97.6 1.12 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.87 7.23 46.72 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.537 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -95.35 -76.05 0.5 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.22 -0.925 . . . . 0.0 110.121 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.3 p -67.23 -39.06 86.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.39 -0.818 . . . . 0.0 111.194 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 63' ' ' ILE . 35.8 tp -67.35 -34.97 78.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.551 -1.343 . . . . 0.0 109.619 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.7 t60 -59.96 -45.18 93.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.254 -0.904 . . . . 0.0 109.537 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.66 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.59 -43.24 96.73 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.046 -1.034 . . . . 0.0 108.355 179.336 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.714 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.3 ttt -58.77 -36.73 74.88 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.74 -32.76 72.03 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.536 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.589 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 28.0 m -57.01 -37.47 71.75 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.8 mt -60.17 -42.04 94.14 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.519 -0.738 . . . . 0.0 109.477 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.563 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.9 mt -84.09 -45.4 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.2 -0.937 . . . . 0.0 111.209 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.2 m-70 -72.49 -46.22 55.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.319 -0.863 . . . . 0.0 111.214 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -82.27 99.92 9.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.867 -1.146 . . . . 0.0 109.705 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.1 mp0 -64.46 -36.48 84.3 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.88 -47.46 83.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.237 -0.915 . . . . 0.0 110.112 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -66.38 -42.84 87.36 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.148 -0.97 . . . . 0.0 109.096 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.16 -37.96 89.27 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -46.12 72.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.413 -0.804 . . . . 0.0 109.524 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.37 -45.39 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.222 -0.924 . . . . 0.0 109.306 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.488 ' CZ ' ' OE1' ' B' ' 134' ' ' GLN . 84.7 t80 -62.63 -44.82 95.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.89 . . . . 0.0 109.069 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.7 -41.34 99.08 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.36 -39.91 94.68 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.916 ' ND2' HD12 ' B' ' 143' ' ' LEU . 0.9 OUTLIER -62.02 -46.05 90.89 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.401 -0.812 . . . . 0.0 109.526 179.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.52 -48.1 78.94 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.339 -0.851 . . . . 0.0 109.12 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.654 ' OG1' HD11 ' A' ' 131' ' ' ILE . 38.8 m -63.04 -45.67 91.19 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.394 -0.816 . . . . 0.0 109.167 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.413 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.8 mmm -64.69 -39.4 93.61 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.192 -0.942 . . . . 0.0 109.415 179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.434 ' OG ' ' ND2' ' A' ' 95' ' ' ASN . 21.0 m -62.42 -46.63 87.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.265 -0.897 . . . . 0.0 109.206 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD21 ' SG ' ' A' ' 124' ' ' CYS . 59.0 tp -66.65 -45.12 80.02 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.755 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.67 -41.19 97.21 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.577 -0.702 . . . . 0.0 109.628 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.93 -39.91 93.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.323 -0.861 . . . . 0.0 110.271 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.46 -40.74 96.28 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.11 -0.994 . . . . 0.0 110.058 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 42.3 mmtt -64.04 -45.28 89.55 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.028 -1.045 . . . . 0.0 109.569 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD11 ' CE2' ' A' ' 101' ' ' TYR . 45.6 mt -67.82 -36.66 80.78 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.59 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 29.8 tttp -61.29 -45.53 94.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.4 -36.61 82.88 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.79 -33.01 68.1 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.497 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 63.4 tttt -59.24 -41.27 88.36 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.686 -0.634 . . . . 0.0 109.945 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.497 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.8 m-20 -167.56 -5.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.171 -0.956 . . . . 0.0 111.225 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.5 157.67 49.85 Favored Glycine 0 N--CA 1.493 2.499 0 O-C-N 120.627 -1.296 . . . . 0.0 110.039 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.45 137.67 61.31 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.779 2.319 . . . . 0.0 112.289 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.447 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.22 136.33 46.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.362 -0.836 . . . . 0.0 109.23 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.3 p30 -157.3 171.97 19.44 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.125 -0.984 . . . . 0.0 110.327 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.56 -38.73 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 59.9 ttp -54.86 -42.54 72.13 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.827 -1.17 . . . . 0.0 108.711 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.6 tp -62.29 -35.54 79.35 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.282 -0.887 . . . . 0.0 108.994 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.482 ' HG3' HD11 ' A' ' 158' ' ' LEU . 72.7 tttt -57.79 -47.28 83.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.753 . . . . 0.0 110.154 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -67.09 -39.81 86.85 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.419 -0.8 . . . . 0.0 109.969 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.9 t -63.79 -38.97 93.07 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.246 -0.909 . . . . 0.0 109.819 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.7 mt -61.46 -41.93 97.98 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.202 -0.936 . . . . 0.0 109.406 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.866 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.9 m95 -62.43 -37.36 85.54 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.259 -0.9 . . . . 0.0 108.845 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -40.37 92.13 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.524 -0.735 . . . . 0.0 109.422 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.561 ' SG ' HD21 ' A' ' 100' ' ' LEU . 56.5 m -63.26 -39.88 95.85 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.265 -0.897 . . . . 0.0 109.69 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 90.8 mt -57.96 -42.18 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.25 -0.907 . . . . 0.0 110.039 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -60.39 -40.29 90.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 109.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.73 -40.66 95.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.465 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.5 m-85 -64.28 -43.83 93.57 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.941 -1.1 . . . . 0.0 110.141 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 m -62.17 -36.38 81.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 110.034 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.686 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.88 -42.13 90.69 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.153 -0.967 . . . . 0.0 109.803 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.654 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.7 mt -59.57 -44.54 93.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.09 -1.006 . . . . 0.0 110.047 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.96 HD21 HD12 ' A' ' 147' ' ' LEU . 93.0 mt -72.04 -44.88 62.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.136 -0.978 . . . . 0.0 110.361 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -67.78 -46.09 73.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.428 -0.795 . . . . 0.0 110.972 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.686 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.6 mt -63.82 -32.35 73.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.195 -0.94 . . . . 0.0 111.411 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -129.57 52.64 1.97 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.022 -1.049 . . . . 0.0 111.035 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.6 mtpt -62.47 -38.27 89.16 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 109.336 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.85 -29.74 68.12 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.499 -0.751 . . . . 0.0 111.558 -178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.94 1.1 57.4 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.673 -1.267 . . . . 0.0 110.595 -178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.434 HD13 HD23 ' A' ' 132' ' ' LEU . 79.9 mt -118.29 128.04 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.319 -0.863 . . . . 0.0 109.344 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.2 m -70.74 159.84 33.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.281 -0.887 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.23 -40.25 96.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.193 -0.942 . . . . 0.0 109.564 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.6 m -64.63 -44.97 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.885 . . . . 0.0 109.634 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 m -62.62 -38.65 91.05 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.345 -0.847 . . . . 0.0 109.438 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.766 HG23 HD22 ' A' ' 132' ' ' LEU . 55.9 m -61.84 -40.18 94.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.455 -0.778 . . . . 0.0 109.575 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.94 -38.77 76.57 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 109.904 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.89 -42.54 99.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.222 -0.924 . . . . 0.0 109.465 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.96 HD12 HD21 ' A' ' 132' ' ' LEU . 85.8 mt -67.03 -40.96 87.34 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.415 -0.803 . . . . 0.0 109.905 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.86 -36.94 80.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.533 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.26 -39.82 94.16 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.076 -1.015 . . . . 0.0 108.916 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.413 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 91.2 mtt180 -61.4 -41.91 97.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.349 -0.845 . . . . 0.0 109.124 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.8 mt -64.66 -40.53 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.591 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.3 mmtt -60.8 -40.35 92.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.691 -0.631 . . . . 0.0 109.738 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.661 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.8 t80 -56.69 -43.63 80.66 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.408 -0.807 . . . . 0.0 108.956 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -64.93 -40.59 95.28 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -58.57 -44.0 89.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 109.628 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.64 -50.59 48.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.225 -0.922 . . . . 0.0 110.733 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.9 m-85 -66.61 -35.62 80.62 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.225 -0.922 . . . . 0.0 110.472 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.866 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.9 tp -59.8 -38.13 81.06 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.103 -0.998 . . . . 0.0 108.444 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.1 t -67.12 -44.73 79.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.284 -0.885 . . . . 0.0 109.369 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -61.28 -38.47 86.86 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.459 -0.775 . . . . 0.0 109.384 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.531 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.5 mt -64.39 -42.13 96.3 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.332 -0.855 . . . . 0.0 109.725 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.601 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.72 -24.63 61.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.394 -0.816 . . . . 0.0 109.706 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.541 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 13.5 mtpt -83.87 -4.07 58.4 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.296 -0.877 . . . . 0.0 109.798 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.75 12.39 84.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.91 -29.65 61.04 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.172 -1.193 . . . . 0.0 109.885 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.531 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.2 mm -106.92 132.12 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.194 -0.941 . . . . 0.0 109.102 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 CA-C-O 118.029 -1.429 . . . . 0.0 109.575 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.55 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.446 ' N ' HG22 ' B' ' 128' ' ' ILE . 17.0 m120 -75.44 19.92 0.17 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.66 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.75 -42.48 96.09 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.558 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.5 m-20 -75.63 -43.18 49.2 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.51 -0.876 . . . . 0.0 108.889 179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.432 ' HD2' HD22 ' B' ' 129' ' ' ASN . 80.8 mttt -65.66 -39.36 91.27 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.417 0.627 . . . . 0.0 110.089 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -48.25 81.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.431 -0.793 . . . . 0.0 110.124 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.488 ' OE1' ' CZ ' ' A' ' 92' ' ' TYR . 52.7 mt-30 -72.13 -39.12 69.05 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 121.701 -0.625 . . . . 0.0 110.011 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.483 ' O ' ' O ' ' B' ' 131' ' ' ASP . 49.6 t0 -173.19 165.39 4.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 109.402 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.459 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.7 mtt -77.88 93.02 4.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.06 -1.025 . . . . 0.0 109.092 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.674 ' NE2' HD11 ' B' ' 143' ' ' LEU . 92.1 mt-30 -136.13 160.25 39.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.855 . . . . 0.0 109.762 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -91.24 -74.35 0.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.217 -0.927 . . . . 0.0 109.5 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.98 150.03 43.52 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.371 -0.831 . . . . 0.0 109.753 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 84.5 mtp -60.32 -37.79 81.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 109.16 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.568 ' N ' HD22 ' B' ' 141' ' ' LEU . 4.0 mm? -59.69 -33.18 71.25 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.173 -0.954 . . . . 0.0 108.513 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.01 -36.36 74.81 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.495 -0.753 . . . . 0.0 108.97 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.916 HD12 ' ND2' ' A' ' 95' ' ' ASN . 3.6 mm? -60.16 -37.85 81.4 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.089 -1.007 . . . . 0.0 108.673 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.85 -30.08 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.24 -37.53 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.67 -36.29 76.15 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.6 -32.51 81.65 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -55.94 -39.27 71.46 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.033 -1.275 . . . . 0.0 107.984 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.59 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 75.3 tt0 -60.6 -33.97 73.52 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.682 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.1 tt -54.89 -44.51 74.16 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.53 -39.46 91.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.375 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.557 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 10.8 tm-20 -61.54 -38.38 87.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.779 . . . . 0.0 109.821 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.424 HG13 ' HB2' ' A' ' 109' ' ' LYS . 28.9 t -63.25 -50.33 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.076 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.661 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.5 mm? -66.57 -33.15 75.03 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.202 -0.936 . . . . 0.0 109.222 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.11 99.46 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.323 -0.861 . . . . 0.0 109.665 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.557 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 41.7 mtt -66.63 -38.7 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.945 -1.097 . . . . 0.0 109.699 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.73 -38.85 86.51 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.22 -0.925 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.681 ' N ' HD22 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 170.86 106.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.508 -0.745 . . . . 0.0 109.03 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.83 -35.91 71.55 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.023 -1.048 . . . . 0.0 109.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.6 p -84.13 3.37 35.21 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.95 97.9 0.07 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -121.97 153.45 38.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.619 -0.93 . . . . 0.0 109.018 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.707 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.6 mp -55.32 -33.65 63.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.138 -0.976 . . . . 0.0 109.48 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.41 -32.33 70.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.24 -0.913 . . . . 0.0 109.599 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.27 -23.62 57.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.354 -0.841 . . . . 0.0 109.791 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 35.9 mt -102.6 134.29 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.192 -0.943 . . . . 0.0 108.85 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 71.4 m -58.61 71.94 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.482 -0.761 . . . . 0.0 110.226 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.9 t0 -64.9 -39.07 92.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.47 79.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.052 -1.03 . . . . 0.0 111.282 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . 0.442 ' OE2' ' CD ' ' B' ' 174' ' ' GLU . 1.3 tm-20 -71.25 -43.39 67.34 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.876 -1.14 . . . . 0.0 109.838 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' B' ' 171' ' ' LEU . 96.5 mt -63.15 -38.04 89.59 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.527 -0.733 . . . . 0.0 110.123 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.591 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.3 m-20 -60.22 -42.64 95.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.296 -0.878 . . . . 0.0 110.587 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.62 82.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.002 -1.061 . . . . 0.0 110.052 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.541 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -64.62 -36.5 84.45 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.254 -0.904 . . . . 0.0 110.149 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.44 -35.48 80.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.981 -1.074 . . . . 0.0 110.691 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 25.0 m-20 -61.41 -37.42 83.41 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.865 -1.147 . . . . 0.0 108.393 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.09 73.02 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.601 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.8 mt -66.0 -35.35 80.33 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.443 -0.786 . . . . 0.0 109.871 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.98 -41.32 71.05 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.97 -1.081 . . . . 0.0 108.255 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.75 -33.64 74.41 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -61.19 -40.59 94.51 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.443 -0.785 . . . . 0.0 110.394 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -93.8 -17.47 23.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.113 -0.992 . . . . 0.0 110.465 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -95.77 171.12 8.85 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.304 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.53 ' C ' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.34 120.06 41.38 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.367 -0.833 . . . . 0.0 109.194 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.781 HD23 ' N ' ' B' ' 185' ' ' LEU . 0.1 OUTLIER -91.43 142.66 27.18 Favored Pre-proline 0 C--N 1.3 -1.571 0 C-N-CA 119.343 -0.943 . . . . 0.0 109.058 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo . . . . . 0 C--N 1.305 -1.723 0 C-N-CA 122.605 2.203 . . . . 0.0 112.132 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.332 0.587 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.8 78.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.338 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 m -60.41 -36.3 77.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -0.939 . . . . 0.0 109.212 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.637 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.7 m-20 -60.45 -36.53 78.46 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.319 -0.863 . . . . 0.0 109.354 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.53 -41.08 96.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.344 -0.848 . . . . 0.0 109.518 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 -48.13 61.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.347 -0.846 . . . . 0.0 109.974 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 50.2 ttt-85 -59.88 -41.97 92.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.173 -0.954 . . . . 0.0 109.478 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 4' ' ' ASN . 79.4 t -60.85 -41.86 90.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.599 -0.688 . . . . 0.0 109.145 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.4 t -65.65 -47.18 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -0.894 . . . . 0.0 109.476 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.7 -41.13 84.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.027 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 86.3 m -62.54 -38.69 91.0 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.384 -0.822 . . . . 0.0 108.968 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.23 87.97 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.353 -0.842 . . . . 0.0 109.042 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 mttm -61.55 -32.08 72.14 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.355 -0.84 . . . . 0.0 109.471 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -60.89 -41.66 96.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.87 . . . . 0.0 109.698 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -63.95 -38.8 92.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.323 -0.861 . . . . 0.0 109.958 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.15 -39.79 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.963 -1.086 . . . . 0.0 109.187 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -61.52 -32.97 73.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.429 -0.794 . . . . 0.0 109.978 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.14 -0.53 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.201 -0.937 . . . . 0.0 110.175 -179.115 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.77 4.37 63.64 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 20' ' ' LEU . 80.8 mt -101.6 41.37 1.21 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.216 -1.167 . . . . 0.0 109.17 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.54 -32.01 37.83 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.677 HD11 ' CE ' ' A' ' 79' ' ' MET . 72.1 mt -57.28 -42.5 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.952 -1.322 . . . . 0.0 109.063 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.88 -48.13 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.934 -1.104 . . . . 0.0 108.573 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.45 81.07 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.655 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.35 -46.6 85.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.295 -1.12 . . . . 0.0 109.73 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 27.7 m-85 -67.18 -36.97 82.91 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.852 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.96 -41.17 99.45 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.171 -0.956 . . . . 0.0 109.803 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.433 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -61.95 -40.35 95.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.071 -1.018 . . . . 0.0 108.921 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.68 -39.17 93.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.478 -0.764 . . . . 0.0 108.972 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -64.85 -46.88 80.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.71 81.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.1 t -60.97 -50.58 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.09 -1.006 . . . . 0.0 109.675 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -66.95 -30.28 70.37 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 6.1 tp -60.14 -45.02 94.45 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.23 -44.21 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.265 -0.897 . . . . 0.0 109.306 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.62 -37.46 87.41 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.499 -0.751 . . . . 0.0 109.822 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.4 m -77.14 1.32 18.62 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.431 -0.793 . . . . 0.0 109.235 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -93.27 125.25 37.78 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.309 -0.869 . . . . 0.0 109.297 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.71 -37.7 87.17 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.189 -0.944 . . . . 0.0 109.926 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -92.59 125.73 37.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 110.136 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -136.27 143.34 44.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.669 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.16 159.38 20.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -52.89 -34.65 55.85 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.832 -1.167 . . . . 0.0 108.46 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.67 -43.84 71.71 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -68.68 -41.0 79.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.947 -1.095 . . . . 0.0 109.82 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -62.79 -43.86 97.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 0.0 109.459 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.93 -33.79 72.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.79 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.23 -39.56 93.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.268 -0.895 . . . . 0.0 109.758 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.23 91.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.116 -0.99 . . . . 0.0 109.45 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.1 m -60.71 -45.92 92.39 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.471 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.39 -37.58 75.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.227 -0.921 . . . . 0.0 109.596 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 52' ' ' LEU . 95.2 mt -63.78 -37.13 86.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.333 -0.854 . . . . 0.0 109.883 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.4 mt -58.75 -38.56 78.7 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.129 -0.982 . . . . 0.0 109.26 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.33 -44.16 97.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 109.511 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 HG21 HE22 ' A' ' 28' ' ' GLN . 53.8 m -68.25 -48.62 64.61 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.245 -0.91 . . . . 0.0 109.713 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.5 mt -60.57 -47.62 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 O-C-N 121.324 -0.86 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.49 -42.07 92.56 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.108 -0.995 . . . . 0.0 109.093 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.32 87.57 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.166 -0.959 . . . . 0.0 109.013 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.4 t80 -62.59 -47.94 81.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.487 -0.758 . . . . 0.0 109.951 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 64' ' ' GLY . 64.1 tttt -63.6 -43.56 96.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.798 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -63.31 -33.16 74.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 108.688 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.83 -31.01 66.22 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.399 -0.813 . . . . 0.0 108.85 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.691 HG23 HD11 ' A' ' 76' ' ' LEU . 71.8 mt -124.14 7.95 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.557 -0.714 . . . . 0.0 109.693 -179.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.94 -38.13 73.51 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.37 2.85 63.49 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.67 -36.67 79.3 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.975 -1.309 . . . . 0.0 108.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -133.15 -31.27 1.27 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.84 -30.6 71.68 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.67 -38.57 81.86 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.394 -0.816 . . . . 0.0 109.193 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.55 -43.58 80.05 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.49 -39.28 91.72 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.0 t -159.34 96.17 1.28 Allowed 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -96.56 8.26 44.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.241 -0.912 . . . . 0.0 109.65 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -98.55 -75.28 0.56 Allowed 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.161 -0.962 . . . . 0.0 110.112 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.9 p -67.08 -40.55 87.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.341 -0.849 . . . . 0.0 111.325 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.691 HD11 HG23 ' A' ' 63' ' ' ILE . 35.2 tp -66.08 -35.53 80.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.535 -1.353 . . . . 0.0 109.582 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -59.57 -44.56 93.28 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.175 -0.953 . . . . 0.0 109.155 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.576 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.98 -44.5 97.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.276 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.677 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.0 ttt -58.9 -36.58 74.93 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.671 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.13 -33.02 71.56 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.3 m -57.53 -38.52 74.82 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.7 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 72.2 mt -60.06 -40.86 90.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.555 -0.716 . . . . 0.0 109.562 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.472 HG23 ' CE2' ' A' ' 25' ' ' TYR . 96.3 mt -82.56 -45.12 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.191 -0.943 . . . . 0.0 111.557 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.671 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 41.8 m-70 -77.58 -45.72 24.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.167 -0.958 . . . . 0.0 111.408 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -76.55 98.14 4.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.853 -1.154 . . . . 0.0 109.118 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.12 -37.45 87.5 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.464 -0.772 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.05 -47.38 83.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.179 -0.951 . . . . 0.0 110.068 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.29 -43.21 86.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.957 . . . . 0.0 109.339 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.73 -37.84 88.85 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 108.794 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.513 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.18 -45.64 72.19 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.461 -0.775 . . . . 0.0 109.68 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.83 -43.67 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.207 -0.933 . . . . 0.0 109.487 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.593 ' CE2' ' OE1' ' B' ' 134' ' ' GLN . 55.6 t80 -64.86 -44.12 90.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.15 -0.969 . . . . 0.0 109.5 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.7 tpt -62.35 -42.47 99.42 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 tp -64.46 -41.29 96.62 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 140' ' ' MET . 89.9 m-20 -62.86 -42.03 99.59 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.366 -0.834 . . . . 0.0 109.391 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -65.36 -49.35 69.7 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.837 . . . . 0.0 109.017 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.537 ' OG1' HD11 ' A' ' 131' ' ' ILE . 60.0 m -63.54 -44.53 93.91 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.459 -0.776 . . . . 0.0 109.175 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.659 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 89.5 mmm -63.07 -38.85 92.84 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.255 -0.903 . . . . 0.0 109.49 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -61.82 -46.4 89.66 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.338 -0.851 . . . . 0.0 109.053 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.555 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 43.6 tp -66.15 -43.04 88.18 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.802 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 40.9 t80 -61.68 -41.43 97.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.533 -0.73 . . . . 0.0 109.57 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.424 HD22 ' HG2' ' B' ' 146' ' ' GLN . 51.2 t-20 -61.46 -40.57 95.0 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.198 -0.939 . . . . 0.0 109.801 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.24 -39.64 92.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.648 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.412 ' HZ2' ' CB ' ' A' ' 120' ' ' SER . 12.9 mmtt -63.62 -45.52 89.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.201 -0.937 . . . . 0.0 109.68 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.802 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 61.1 mt -69.12 -35.7 76.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.095 -1.003 . . . . 0.0 108.599 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.569 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.5 tttp -59.78 -44.48 93.89 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' OE1' HD13 ' A' ' 117' ' ' LEU . 41.9 tt0 -63.95 -37.38 87.19 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.865 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -59.96 -32.13 70.52 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.654 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 14.4 tttt -58.86 -39.87 82.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.581 -0.7 . . . . 0.0 110.196 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.475 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.35 -24.81 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.182 -0.949 . . . . 0.0 110.266 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.24 156.98 1.43 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.743 -1.343 . . . . 0.0 109.743 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.83 141.39 89.9 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.891 2.394 . . . . 0.0 112.812 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.417 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.7 m-90 -106.13 138.15 42.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.446 -0.784 . . . . 0.0 108.886 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.9 p30 -156.17 173.02 17.44 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.919 -1.113 . . . . 0.0 110.42 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.37 -39.25 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.1 ttp -54.05 -41.99 68.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.993 -1.067 . . . . 0.0 108.231 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.796 HD13 ' OE1' ' A' ' 107' ' ' GLN . 46.6 tp -61.91 -36.95 82.86 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.424 -0.797 . . . . 0.0 109.074 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 85.2 tttt -57.64 -47.58 81.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.411 -0.806 . . . . 0.0 109.785 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -68.58 -37.48 79.89 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.576 -0.703 . . . . 0.0 110.324 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.412 ' CB ' ' HZ2' ' A' ' 104' ' ' LYS . 87.0 p -62.31 -39.16 92.08 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.236 -0.915 . . . . 0.0 110.307 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.14 -40.27 95.8 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.006 -1.059 . . . . 0.0 109.211 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.843 ' NE1' HD21 ' A' ' 158' ' ' LEU . 46.7 m95 -62.35 -38.02 87.92 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.297 -0.877 . . . . 0.0 109.112 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -40.57 87.35 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.396 -0.815 . . . . 0.0 109.523 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.555 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 74.8 m -62.54 -40.69 97.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.309 -0.869 . . . . 0.0 109.651 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.572 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -58.02 -42.24 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.31 -0.868 . . . . 0.0 109.898 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -61.13 -41.36 96.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.193 -0.942 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.47 -40.39 96.52 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.392 -0.817 . . . . 0.0 110.176 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.685 ' HB3' HD11 ' A' ' 151' ' ' ILE . 26.3 m-85 -64.96 -44.11 90.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 110.044 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.5 m -60.99 -36.39 79.33 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.739 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -66.65 -43.57 84.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.272 -0.892 . . . . 0.0 109.77 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.585 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 98.7 mt -59.38 -42.22 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.082 -1.011 . . . . 0.0 110.202 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 147' ' ' LEU . 94.8 mt -67.75 -45.12 75.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.006 -1.059 . . . . 0.0 110.208 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.455 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.4 t60 -69.93 -43.19 72.16 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.364 -0.835 . . . . 0.0 111.294 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.2 mt -59.36 -32.47 70.15 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.218 -0.926 . . . . 0.0 111.496 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -142.21 59.85 1.46 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.737 -1.227 . . . . 0.0 110.99 -178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -61.74 -38.27 87.35 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 109.039 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.25 -27.15 66.1 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.637 -0.664 . . . . 0.0 111.158 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.513 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 8.6 t30 -91.71 -0.43 57.55 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.798 -1.188 . . . . 0.0 110.4 -178.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.31 126.06 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.315 -0.866 . . . . 0.0 108.927 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.85 159.76 34.03 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.0 109.539 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.4 -40.27 95.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.32 -0.862 . . . . 0.0 109.419 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.9 m -63.88 -45.69 88.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.364 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.6 m -63.47 -38.35 90.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.318 -0.864 . . . . 0.0 109.096 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.725 HG23 HD22 ' A' ' 132' ' ' LEU . 43.8 m -61.51 -39.69 91.91 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.419 -0.801 . . . . 0.0 109.445 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -57.96 -40.01 79.54 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.237 -0.914 . . . . 0.0 109.783 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 t -62.0 -40.69 96.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.196 -0.94 . . . . 0.0 109.038 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.737 HD12 HD21 ' A' ' 132' ' ' LEU . 86.5 mt -63.92 -40.6 96.85 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.491 -0.756 . . . . 0.0 109.593 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.53 -37.32 80.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.437 -0.789 . . . . 0.0 109.478 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.713 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.6 tttt -62.13 -41.05 97.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.01 . . . . 0.0 108.549 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.659 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.0 mtt180 -62.42 -42.89 99.78 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.35 -0.844 . . . . 0.0 108.799 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.7 mt -67.25 -46.96 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.595 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 17.7 mmtt -61.07 -37.29 82.14 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.633 -0.667 . . . . 0.0 109.372 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.776 ' OH ' HD11 ' B' ' 154' ' ' LEU . 8.3 t80 -56.22 -43.8 78.93 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 25.3 m -66.24 -42.13 89.04 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.56 -44.09 89.59 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.446 -0.784 . . . . 0.0 109.726 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.5 HD12 HD22 ' B' ' 163' ' ' LEU . 80.8 mt -69.61 -50.17 52.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 110.507 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.865 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.83 -36.63 82.78 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.197 -0.939 . . . . 0.0 110.467 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.843 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.0 tp -60.39 -37.51 81.02 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.9 m -66.64 -45.17 79.9 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.494 -0.754 . . . . 0.0 109.937 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -60.37 -37.19 79.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.42 -0.8 . . . . 0.0 109.695 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 158' ' ' LEU . 15.3 mt -59.68 -35.33 74.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.193 -0.942 . . . . 0.0 108.529 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.65 71.29 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.556 -0.715 . . . . 0.0 109.662 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.453 ' HE3' HD21 ' B' ' 171' ' ' LEU . 49.7 mttm -77.96 -16.29 58.28 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.052 -1.03 . . . . 0.0 109.011 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.03 11.25 76.81 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -74.63 -29.16 61.18 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.548 -0.972 . . . . 0.0 109.93 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.4 mm -101.94 131.18 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.092 -1.005 . . . . 0.0 109.031 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 CA-C-O 117.985 -1.453 . . . . 0.0 109.646 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.713 HG22 ' ND2' ' B' ' 129' ' ' ASN . 82.0 mt . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.713 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.8 m120 -75.34 19.95 0.16 Allowed 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.576 HD12 HG22 ' A' ' 78' ' ' VAL . 20.6 tt -66.51 -42.1 89.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.554 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.9 m-20 -69.82 -41.91 74.35 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.416 -0.914 . . . . 0.0 108.698 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.481 ' O ' ' O ' ' B' ' 135' ' ' ASP . 48.9 mttm -66.81 -46.01 76.56 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-O 121.674 0.749 . . . . 0.0 109.057 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.47 -46.24 83.91 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.887 0.851 . . . . 0.0 109.527 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.593 ' OE1' ' CE2' ' A' ' 92' ' ' TYR . 0.7 OUTLIER -63.16 -36.72 84.57 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.782 -0.574 . . . . 0.0 110.101 -179.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' B' ' 136' ' ' MET . 58.3 t0 -160.37 -128.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.027 -1.046 . . . . 0.0 109.974 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.527 ' H ' ' CG ' ' B' ' 135' ' ' ASP . 70.0 mtm -103.18 -170.24 1.76 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.281 -0.887 . . . . 0.0 109.716 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -54.18 -28.38 40.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.391 -0.818 . . . . 0.0 109.565 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -50.35 149.2 3.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.162 -0.961 . . . . 0.0 109.316 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -97.82 165.93 11.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.32 -0.863 . . . . 0.0 109.768 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 52.8 mtp -57.48 -45.05 85.28 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.378 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.0 -34.44 78.11 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.325 -0.86 . . . . 0.0 108.89 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.02 -37.54 80.06 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.3 mt -57.78 -33.99 69.12 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 64.0 mt -67.56 -30.61 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 121.16 -0.963 . . . . 0.0 108.426 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.02 -38.36 70.41 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . 0.424 ' HG2' HD22 ' A' ' 102' ' ' ASN . 7.1 tt0 -59.25 -36.51 75.62 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.66 -32.42 81.46 Favored Glycine 0 N--CA 1.485 1.916 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -55.79 -39.64 71.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.041 -1.27 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.569 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 tt0 -60.47 -34.16 73.63 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.696 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.8 tt -55.26 -44.66 75.8 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.08 -41.42 96.61 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.269 -0.894 . . . . 0.0 108.819 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.564 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.9 -38.34 88.01 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.701 -0.624 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 33.3 t -64.75 -50.67 74.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 110.24 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.776 HD11 ' OH ' ' A' ' 153' ' ' TYR . 1.3 mm? -67.01 -33.24 75.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.126 -0.984 . . . . 0.0 109.169 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.06 97.82 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.654 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 83.7 mtp -64.7 -37.2 86.79 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.985 -1.072 . . . . 0.0 109.613 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.0 t-20 -60.4 -38.89 85.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.257 -0.902 . . . . 0.0 109.363 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.64 106.75 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.401 -0.812 . . . . 0.0 109.217 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -58.33 -35.58 72.12 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.161 -0.962 . . . . 0.0 109.193 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 49.4 p -82.37 0.68 40.78 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -60.92 99.36 0.19 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -114.93 152.03 33.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.481 -1.011 . . . . 0.0 109.34 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 149' ' ' LYS . 40.4 mt -55.06 -32.74 62.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.249 -0.907 . . . . 0.0 109.463 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -58.92 -30.39 67.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.261 -0.9 . . . . 0.0 109.371 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -75.45 -21.19 58.34 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.613 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.589 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.1 mt -101.82 131.71 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.22 -0.925 . . . . 0.0 108.784 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 66.6 m -58.06 72.43 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 0.0 110.392 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.3 t0 -64.2 -36.67 84.84 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.011 -1.055 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.51 -49.28 71.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.016 -1.053 . . . . 0.0 112.014 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.9 67.82 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.752 -1.218 . . . . 0.0 109.823 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.453 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.5 mt -62.36 -38.61 90.23 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.676 -0.64 . . . . 0.0 110.531 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.595 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 90.8 m-20 -61.95 -42.97 99.72 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.136 -0.977 . . . . 0.0 110.496 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.14 -41.47 86.05 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.007 -1.058 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.1 mt-10 -66.08 -37.62 86.25 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.235 -0.916 . . . . 0.0 110.298 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 158' ' ' LEU . 17.3 tp -67.77 -35.19 78.24 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.957 -1.089 . . . . 0.0 110.439 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.482 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 33.0 m-20 -61.67 -36.84 81.98 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.185 -1.006 . . . . 0.0 108.696 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.81 71.37 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.075 -1.016 . . . . 0.0 108.339 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.07 -37.14 83.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.49 -0.756 . . . . 0.0 110.067 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.461 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -57.56 -43.27 84.36 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.56 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.56 -36.71 81.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.353 -0.842 . . . . 0.0 109.445 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.8 tm-20 -70.77 -45.42 64.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.325 -0.859 . . . . 0.0 110.169 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.3 m-20 -70.13 -36.63 74.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.121 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -84.17 173.49 11.01 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.448 -0.782 . . . . 0.0 109.223 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.02 121.17 44.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.367 -0.833 . . . . 0.0 109.097 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.568 ' N ' HD12 ' B' ' 185' ' ' LEU . 6.9 mp -90.77 143.26 28.6 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.296 1.997 . . . . 0.0 112.217 -179.738 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.261 0.553 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.83 78.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -60.43 -36.83 79.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 109.444 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 8' ' ' VAL . 23.6 m120 -60.62 -36.55 78.89 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.307 -0.87 . . . . 0.0 109.38 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.593 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -61.96 -39.6 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.319 -0.863 . . . . 0.0 109.583 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.6 88.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.919 . . . . 0.0 110.064 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 46.8 ttt-85 -59.89 -41.34 91.42 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.133 -0.979 . . . . 0.0 109.287 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.57 HG11 ' HD2' ' A' ' 30' ' ' TYR . 98.0 t -60.63 -40.36 84.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.38 -47.61 91.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.892 . . . . 0.0 109.188 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.66 82.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.285 -0.884 . . . . 0.0 108.713 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.514 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 47.1 m -61.39 -38.65 87.81 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.96 -39.19 80.95 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.402 -0.811 . . . . 0.0 108.841 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -60.54 -33.27 72.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.376 -0.828 . . . . 0.0 109.139 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.37 -38.89 85.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.329 -0.857 . . . . 0.0 109.215 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE2' HG21 ' A' ' 23' ' ' ILE . 60.4 m-85 -63.06 -43.47 98.51 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.248 -0.907 . . . . 0.0 108.85 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.36 -41.45 97.08 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -62.98 -29.04 70.51 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.86 -9.44 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.516 -0.74 . . . . 0.0 109.473 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.29 4.73 62.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' H ' HG12 ' A' ' 18' ' ' VAL . 94.2 mt -103.94 58.77 0.73 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.207 -1.172 . . . . 0.0 109.151 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.58 -30.88 62.77 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.877 HD12 HE22 ' B' ' 134' ' ' GLN . 69.1 mt -57.47 -43.4 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 120.95 -1.323 . . . . 0.0 109.585 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.556 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.1 mm -67.69 -47.47 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.041 -1.037 . . . . 0.0 108.797 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.43 84.11 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 73.0 t80 -58.24 -47.88 82.15 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -1.036 . . . . 0.0 109.96 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.4 m-85 -66.41 -34.92 79.03 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.081 -1.012 . . . . 0.0 109.814 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 27' ' ' LEU . 87.4 mt -63.65 -36.89 85.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.106 -0.996 . . . . 0.0 109.56 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -58.82 -41.63 87.3 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.098 -1.001 . . . . 0.0 108.968 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 29' ' ' LEU . 8.0 mp -66.7 -37.5 84.84 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.175 -0.953 . . . . 0.0 108.823 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.701 ' O ' HD13 ' A' ' 34' ' ' LEU . 72.4 t80 -60.72 -46.08 91.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.523 -0.736 . . . . 0.0 110.546 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.87 85.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.018 -1.051 . . . . 0.0 110.092 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.31 -47.83 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.992 . . . . 0.0 110.1 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.8 mm-40 -65.2 -33.36 75.81 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.431 -0.793 . . . . 0.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.7 mp -61.23 -45.5 94.3 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.553 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.83 -45.5 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.893 . . . . 0.0 109.388 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.64 -36.57 84.68 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.396 -0.815 . . . . 0.0 109.696 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -68.04 -14.3 62.87 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -91.06 123.74 34.76 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.508 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.383 -0.823 . . . . 0.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.96 125.85 32.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.177 -0.952 . . . . 0.0 110.009 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.69 144.27 37.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.389 -0.82 . . . . 0.0 109.605 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 55.0 m -114.1 160.39 18.99 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.89 -34.84 56.62 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.974 -1.079 . . . . 0.0 108.533 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.15 -44.57 68.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.269 -0.894 . . . . 0.0 109.815 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -69.82 -40.9 75.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.957 -1.089 . . . . 0.0 109.981 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.6 m -63.08 -42.86 99.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.755 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.43 76.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.372 -0.83 . . . . 0.0 109.814 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.33 -40.63 96.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.286 -0.884 . . . . 0.0 109.659 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.2 -39.06 92.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.13 -0.982 . . . . 0.0 109.527 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.66 -45.85 92.25 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.392 -0.818 . . . . 0.0 110.422 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -38.31 77.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.229 -0.92 . . . . 0.0 109.908 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.0 mt -63.9 -38.33 90.7 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.1 -1.0 . . . . 0.0 109.977 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.82 -40.47 84.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.979 -1.076 . . . . 0.0 109.394 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.9 -42.19 99.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.29 -0.881 . . . . 0.0 109.308 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 m -64.1 -43.57 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.1 mp -55.81 -51.22 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.077 -1.015 . . . . 0.0 109.204 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.04 -38.49 88.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.212 -0.93 . . . . 0.0 109.584 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.72 88.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.165 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.25 -48.93 60.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.368 -0.833 . . . . 0.0 109.65 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.585 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.8 tttt -64.08 -39.68 94.59 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.377 -0.827 . . . . 0.0 109.34 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -62.91 -33.96 76.44 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.98 -31.49 68.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.516 -0.74 . . . . 0.0 109.165 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.654 ' O ' HG22 ' A' ' 63' ' ' ILE . 76.0 mt -123.63 9.72 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.559 -0.713 . . . . 0.0 109.911 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.24 -37.92 55.78 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.78 3.06 64.48 Favored Glycine 0 N--CA 1.489 2.214 0 O-C-N 121.217 -1.167 . . . . 0.0 110.282 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.78 -37.15 83.27 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.041 -1.27 . . . . 0.0 109.119 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.92 -29.66 1.12 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.66 -0.866 . . . . 0.0 108.66 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.47 -31.33 72.46 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.77 81.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.504 -0.747 . . . . 0.0 109.403 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -56.67 -44.13 81.1 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.608 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.72 -39.68 94.06 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -158.49 94.89 1.3 Allowed 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.2 p30 -93.06 6.44 47.96 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.93 . . . . 0.0 109.675 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -95.53 -74.83 0.54 Allowed 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.279 -0.888 . . . . 0.0 110.008 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -67.16 -38.15 84.97 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.416 -0.803 . . . . 0.0 111.393 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -70.81 -36.48 72.99 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.547 -1.346 . . . . 0.0 109.726 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.42 -45.32 94.06 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.652 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.76 93.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.7 ttt -58.85 -36.46 74.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.94 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 178.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 31.1 m -56.92 -37.68 71.8 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 59.3 mt -60.26 -40.88 91.92 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.458 -0.776 . . . . 0.0 109.562 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.544 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.2 mt -85.68 -45.49 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.258 -0.901 . . . . 0.0 111.361 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.469 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 87.0 m-70 -73.26 -46.29 50.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.311 -0.868 . . . . 0.0 111.195 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.28 100.95 9.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.836 -1.165 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.55 -37.27 86.98 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.468 -0.77 . . . . 0.0 110.308 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.8 -47.46 83.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 110.411 -178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.539 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 75.7 tttt -66.1 -41.8 90.12 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.327 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.4 -37.76 88.54 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.289 -0.882 . . . . 0.0 108.795 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.01 -45.77 68.09 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.499 -0.751 . . . . 0.0 109.658 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.76 -46.14 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.216 -0.927 . . . . 0.0 109.907 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -62.85 -44.21 96.72 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.141 -0.974 . . . . 0.0 109.384 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 tpt -62.93 -43.23 99.37 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.161 -0.962 . . . . 0.0 108.879 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.94 -42.16 99.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.471 -0.768 . . . . 0.0 109.051 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' O ' ' OG ' ' A' ' 99' ' ' SER . 94.8 m-20 -62.6 -41.02 98.72 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.536 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -65.19 -49.36 70.05 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.237 -0.914 . . . . 0.0 108.944 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.502 ' OG1' HD11 ' A' ' 131' ' ' ILE . 61.1 m -63.27 -45.32 92.04 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.402 -0.811 . . . . 0.0 108.893 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.653 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 91.5 mmm -63.21 -39.51 94.84 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.336 -0.853 . . . . 0.0 109.423 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 25.4 m -62.65 -46.45 88.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.203 -0.936 . . . . 0.0 109.008 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.563 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 57.1 tp -66.38 -44.41 83.22 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.6 t80 -61.62 -41.56 97.64 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.567 -0.708 . . . . 0.0 109.695 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 46.3 t30 -61.86 -39.56 92.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.251 -0.905 . . . . 0.0 110.297 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.35 -39.82 94.64 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.134 -0.979 . . . . 0.0 109.971 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.718 ' HZ1' ' CB ' ' A' ' 120' ' ' SER . 29.4 mmtp -63.6 -45.2 91.43 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.077 -1.014 . . . . 0.0 109.917 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CG ' ' B' ' 150' ' ' LEU . 34.0 mt -67.09 -36.6 82.31 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.885 -1.135 . . . . 0.0 108.176 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 14.2 tttt -60.56 -46.03 91.71 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.33 -36.87 83.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.6 tp -58.03 -33.15 68.67 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.498 ' O ' ' OD1' ' A' ' 110' ' ' ASP . 16.6 tttt -59.18 -39.36 82.31 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.756 -0.59 . . . . 0.0 110.016 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -168.24 -20.94 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.155 -0.966 . . . . 0.0 110.924 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.94 158.03 3.14 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.19 138.96 69.72 Favored 'Trans proline' 0 C--N 1.309 -1.529 0 C-N-CA 122.937 2.424 . . . . 0.0 112.609 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.3 m-90 -106.58 135.84 47.4 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.9 p30 -157.56 172.06 19.23 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.939 -1.101 . . . . 0.0 110.453 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.4 t -55.65 -38.86 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.6 ttm -54.98 -42.45 72.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.982 -1.074 . . . . 0.0 108.687 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.474 HD11 ' HD2' ' A' ' 104' ' ' LYS . 35.1 tp -62.33 -35.76 80.08 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.179 -0.951 . . . . 0.0 109.004 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HG3' HD11 ' A' ' 158' ' ' LEU . 76.6 tttt -57.34 -47.1 82.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.489 -0.757 . . . . 0.0 109.998 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -67.72 -39.76 84.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.38 -0.825 . . . . 0.0 109.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.718 ' CB ' ' HZ1' ' A' ' 104' ' ' LYS . 14.8 m -62.92 -39.88 95.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.31 -0.868 . . . . 0.0 109.931 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 104' ' ' LYS . 85.9 mt -61.88 -40.6 95.96 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.207 -0.933 . . . . 0.0 109.197 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.836 ' NE1' HD21 ' A' ' 158' ' ' LEU . 42.0 m95 -63.44 -38.55 91.57 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.26 -0.9 . . . . 0.0 109.077 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.434 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -65.66 -39.73 91.68 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.46 -0.775 . . . . 0.0 109.529 179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 66.6 m -62.96 -40.22 97.02 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.624 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.478 HG23 HG23 ' A' ' 151' ' ' ILE . 95.0 mt -58.56 -42.02 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.3 -40.2 89.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.087 -1.008 . . . . 0.0 109.905 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.72 -39.18 93.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.345 -0.847 . . . . 0.0 110.421 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.701 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.8 m-85 -64.72 -44.75 89.19 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.923 -1.111 . . . . 0.0 110.128 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -62.34 -36.47 82.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.178 -0.951 . . . . 0.0 109.868 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.543 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 95.8 m -64.62 -43.17 94.59 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.27 -0.894 . . . . 0.0 109.984 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.502 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.9 mt -58.97 -45.09 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.188 -0.945 . . . . 0.0 110.139 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -67.85 -41.81 82.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.014 -1.054 . . . . 0.0 109.826 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.503 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.6 t60 -70.08 -45.24 67.42 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.487 -0.758 . . . . 0.0 110.706 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 88.9 mt -62.59 -34.09 76.29 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.332 -0.855 . . . . 0.0 111.439 -178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -140.1 55.56 1.63 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.759 -1.213 . . . . 0.0 110.632 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -38.22 89.69 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.012 -1.055 . . . . 0.0 109.258 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.76 -25.72 66.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.47 -0.769 . . . . 0.0 110.786 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.411 HD22 ' HE2' ' A' ' 90' ' ' LYS . 17.1 t30 -91.46 1.21 57.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.836 -1.165 . . . . 0.0 110.142 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.03 130.91 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.366 -0.834 . . . . 0.0 109.183 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 m -70.5 159.91 33.41 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.208 -0.932 . . . . 0.0 109.391 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.64 -38.06 89.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.96 . . . . 0.0 109.428 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.9 m -64.31 -44.88 90.23 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.905 . . . . 0.0 109.425 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.0 m -63.48 -39.1 93.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.351 -0.843 . . . . 0.0 109.386 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.575 HG23 HD22 ' A' ' 132' ' ' LEU . 51.4 m -61.71 -39.59 92.06 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.433 -0.792 . . . . 0.0 109.62 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -57.68 -41.19 81.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.288 -0.882 . . . . 0.0 109.587 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.99 -40.83 97.0 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.237 -0.914 . . . . 0.0 109.376 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -66.05 -41.61 90.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.391 -0.818 . . . . 0.0 109.74 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.41 -38.36 86.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.467 -0.771 . . . . 0.0 109.446 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.64 -40.65 97.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.343 -0.848 . . . . 0.0 109.066 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.653 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.5 mtt180 -61.18 -42.58 98.82 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.293 -0.879 . . . . 0.0 109.27 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.92 -40.88 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.7 mmtt -61.09 -39.65 90.74 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.398 0.618 . . . . 0.0 109.862 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 48.6 t80 -57.86 -43.71 86.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.491 -0.756 . . . . 0.0 109.149 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.45 ' SG ' HD22 ' A' ' 121' ' ' LEU . 1.0 OUTLIER -65.43 -40.59 93.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 108.943 179.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -58.69 -43.8 90.11 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.416 -0.803 . . . . 0.0 109.631 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.559 HG23 HD13 ' B' ' 171' ' ' LEU . 97.2 mt -69.4 -50.46 51.27 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 111.03 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.83 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.56 -35.6 80.61 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.148 -0.97 . . . . 0.0 110.38 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.836 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.9 tp -59.89 -36.01 76.04 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.184 -0.948 . . . . 0.0 108.518 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 59.2 p -69.04 -44.32 72.91 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -0.876 . . . . 0.0 110.048 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -63.19 -37.41 87.12 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.772 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 158' ' ' LEU . 21.5 mt -60.26 -36.79 78.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.222 -0.924 . . . . 0.0 109.22 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.637 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.6 -26.66 65.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.331 -0.855 . . . . 0.0 109.959 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.59 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 27.6 mttt -77.97 -16.27 58.28 Favored 'General case' 0 N--CA 1.485 1.314 0 O-C-N 121.077 -1.014 . . . . 0.0 109.43 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.23 10.21 80.67 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.239 -1.945 . . . . 0.0 108.239 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.52 -27.75 60.68 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.549 -0.971 . . . . 0.0 109.803 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 16.6 mm -101.78 126.39 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.992 . . . . 0.0 108.829 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 117.99 -1.45 . . . . 0.0 109.512 -179.718 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.588 ' C ' ' H ' ' B' ' 130' ' ' ILE . 72.8 mt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.603 ' C ' HD22 ' B' ' 129' ' ' ASN . 0.3 OUTLIER -73.58 20.25 0.1 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.294 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.652 HD12 HG22 ' A' ' 78' ' ' VAL . 19.4 tt -63.23 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.584 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -71.94 -41.46 67.79 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.829 0.823 . . . . 0.0 108.785 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -66.97 -41.34 87.03 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.468 0.651 . . . . 0.0 109.953 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.25 -47.49 79.4 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.444 -0.785 . . . . 0.0 110.26 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.877 HE22 HD12 ' A' ' 22' ' ' ILE . 8.9 mm100 -68.36 -37.16 80.21 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.949 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 51.7 p30 -163.84 164.63 23.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.962 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.2 mtt -61.51 -31.68 71.69 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.34 -0.85 . . . . 0.0 109.841 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -52.96 126.52 20.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 0.0 109.73 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.536 ' O ' ' CB ' ' B' ' 131' ' ' ASP . 87.9 m-20 -66.33 -38.9 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.432 -0.792 . . . . 0.0 110.629 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' B' ' 141' ' ' LEU . 46.8 tp10 -126.42 138.8 53.58 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.089 -1.007 . . . . 0.0 110.518 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.42 -36.95 83.98 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 121.728 0.775 . . . . 0.0 109.624 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.596 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -56.85 -33.68 67.05 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.121 -0.987 . . . . 0.0 109.212 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.21 -37.6 77.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.197 -0.939 . . . . 0.0 108.96 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -58.75 -34.01 70.91 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.356 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.596 HD12 HD13 ' B' ' 141' ' ' LEU . 52.8 mt -67.8 -29.64 45.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.006 -1.059 . . . . 0.0 108.324 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.47 -38.34 74.34 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.6 mt-30 -59.44 -35.95 75.0 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.21 -33.35 84.0 Favored Glycine 0 N--CA 1.485 1.944 0 N-CA-C 108.209 -1.956 . . . . 0.0 108.209 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.0 -38.83 71.0 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.053 -1.263 . . . . 0.0 107.85 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.422 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.87 -34.17 74.2 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.694 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.4 tt -54.86 -45.29 74.55 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -61.4 -40.0 92.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.445 -0.784 . . . . 0.0 109.269 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.559 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 2.8 tm-20 -62.01 -39.05 90.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.426 -0.796 . . . . 0.0 109.753 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 30.7 t -64.47 -50.76 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.87 . . . . 0.0 110.357 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.59 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.1 mm? -67.09 -33.86 76.39 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.125 -0.984 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -64.66 -43.3 94.05 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.31 -0.869 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.559 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 55.7 mtt -69.75 -39.81 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.139 -0.975 . . . . 0.0 109.875 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -60.9 -43.5 98.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.674 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.581 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.3 t-20 -176.35 102.77 0.06 Allowed 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 23.9 m120 -57.94 -35.9 71.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.166 -0.959 . . . . 0.0 109.088 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 37.9 p -84.97 5.19 30.2 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . 0.581 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.46 97.77 0.06 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -125.6 151.47 46.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.558 -0.966 . . . . 0.0 109.112 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.654 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.53 -34.26 66.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.504 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.23 -32.51 70.04 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.291 -0.881 . . . . 0.0 109.362 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -75.48 -27.29 58.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.458 -0.776 . . . . 0.0 110.005 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -99.45 131.04 47.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 108.766 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . 0.53 ' O ' HD12 ' B' ' 171' ' ' LEU . 17.1 p -58.55 72.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.414 -0.804 . . . . 0.0 110.355 -178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -62.8 -36.55 83.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.192 -0.943 . . . . 0.0 111.207 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.58 74.73 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.058 -1.026 . . . . 0.0 111.78 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . 0.402 ' OE1' ' C ' ' B' ' 170' ' ' GLU . 0.5 OUTLIER -72.84 -37.21 67.5 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.741 -1.224 . . . . 0.0 109.672 -179.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 156' ' ' ILE . 35.3 mt -65.3 -38.43 90.18 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.615 -0.678 . . . . 0.0 109.937 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.3 m-20 -62.51 -43.31 99.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.365 -0.834 . . . . 0.0 110.704 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.27 -41.76 89.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.091 -1.005 . . . . 0.0 109.929 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.59 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.1 mt-10 -65.03 -36.98 86.1 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.104 -0.998 . . . . 0.0 110.15 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 20.5 tp -66.66 -35.08 79.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.976 -1.078 . . . . 0.0 110.674 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.479 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 21.9 m-20 -61.52 -37.02 82.21 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 118.928 -1.109 . . . . 0.0 108.338 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.69 -43.4 69.1 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.095 -1.003 . . . . 0.0 108.335 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.637 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.7 mt -66.48 -35.08 79.38 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.403 -0.811 . . . . 0.0 109.673 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.456 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.63 -40.09 71.69 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.064 -1.022 . . . . 0.0 108.41 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -61.99 -33.75 74.89 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.29 -40.6 94.75 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.457 -0.777 . . . . 0.0 110.751 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -93.24 -17.47 23.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.113 -0.992 . . . . 0.0 110.477 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -100.54 171.76 7.53 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.25 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.41 126.15 53.16 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.346 -0.846 . . . . 0.0 109.55 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.824 ' H ' HD22 ' B' ' 185' ' ' LEU . 0.5 OUTLIER -91.14 142.0 26.87 Favored Pre-proline 0 C--N 1.3 -1.547 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.111 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo . . . . . 0 C--N 1.31 -1.476 0 C-N-CA 122.223 1.949 . . . . 0.0 112.219 -179.633 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.61 -35.78 78.83 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.087 -1.008 . . . . 0.0 109.555 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 m -60.28 -36.45 77.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.306 -0.871 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.652 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.42 -36.7 78.77 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.202 -0.936 . . . . 0.0 109.464 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.878 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.18 -39.89 94.22 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.268 -0.895 . . . . 0.0 109.422 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.74 -48.19 67.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.968 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.477 HH12 ' C ' ' A' ' 122' ' ' TRP . 48.5 ttt180 -60.99 -40.98 95.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.192 -0.942 . . . . 0.0 109.252 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 4' ' ' ASN . 78.7 t -60.78 -42.08 90.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' ALA . 68.6 t -66.16 -47.83 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.256 -0.903 . . . . 0.0 109.368 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.69 84.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.304 -0.873 . . . . 0.0 108.873 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -61.39 -38.79 88.33 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.53 83.44 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.73 -31.86 72.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.0 109.365 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -60.77 -41.44 95.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.647 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -63.95 -38.27 90.46 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.401 -0.812 . . . . 0.0 109.744 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.99 -39.06 88.24 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.057 -1.027 . . . . 0.0 109.076 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -60.45 -33.3 72.34 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.07 -3.66 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.309 -0.87 . . . . 0.0 109.968 -179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.82 4.75 63.28 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 20' ' ' LEU . 72.1 mt -99.1 50.59 0.95 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.107 -1.231 . . . . 0.0 109.363 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.66 -31.78 57.99 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.988 HD12 HE22 ' B' ' 134' ' ' GLN . 74.9 mt -57.47 -42.82 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.126 -1.22 . . . . 0.0 109.458 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.8 mm -66.12 -48.07 82.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 O-C-N 120.93 -1.106 . . . . 0.0 108.775 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.68 81.14 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.9 t80 -58.73 -47.87 83.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -1.13 . . . . 0.0 109.678 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 35.5 m-85 -67.37 -36.72 81.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.084 -1.01 . . . . 0.0 110.11 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.19 -41.28 98.2 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.093 -1.005 . . . . 0.0 109.779 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.525 ' O ' HG23 ' A' ' 32' ' ' VAL . 96.3 mt-30 -62.32 -40.22 95.61 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.212 -0.93 . . . . 0.0 108.849 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.14 -39.65 93.3 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.401 -0.812 . . . . 0.0 109.177 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 5.2 t80 -65.81 -47.3 75.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.341 -0.85 . . . . 0.0 110.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.69 81.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 109.908 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.8 t -60.37 -50.86 78.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.06 -1.025 . . . . 0.0 109.625 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.32 -30.37 70.19 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.878 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -60.34 -45.03 94.89 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.254 0.549 . . . . 0.0 109.559 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.06 -41.77 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.179 -0.95 . . . . 0.0 109.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.65 -33.56 75.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -0.793 . . . . 0.0 109.929 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.4 p -67.22 -16.79 64.5 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -86.01 122.62 30.3 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 119.76 -0.776 . . . . 0.0 109.474 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.11 -35.59 80.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.229 -0.919 . . . . 0.0 109.834 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -86.02 125.78 33.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -137.31 143.91 42.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.507 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 95.3 p -114.08 163.19 15.51 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -53.44 -35.41 60.45 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.959 -1.088 . . . . 0.0 108.692 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.01 -45.18 67.8 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.7 mtp -68.99 -40.72 78.6 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.027 -1.046 . . . . 0.0 109.925 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.8 m -62.72 -43.63 98.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.268 -0.895 . . . . 0.0 109.518 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.32 75.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.413 -0.805 . . . . 0.0 109.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.36 -40.7 97.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.296 -0.878 . . . . 0.0 109.809 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.71 87.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.096 -1.003 . . . . 0.0 109.5 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -61.45 -45.81 92.7 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.382 -0.824 . . . . 0.0 110.536 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -58.02 -37.78 74.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.4 mt -64.2 -37.07 86.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.259 -0.9 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.4 mt -58.64 -38.86 78.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.999 -1.063 . . . . 0.0 109.396 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -62.23 -43.51 98.65 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.579 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.498 HG21 HE22 ' A' ' 28' ' ' GLN . 43.0 m -66.44 -46.46 76.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.836 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.4 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.79 -49.4 84.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 O-C-N 121.405 -0.809 . . . . 0.0 109.569 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -63.68 -40.09 95.95 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.11 -0.994 . . . . 0.0 109.181 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.45 -41.43 80.27 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.679 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.3 t80 -63.73 -48.45 77.01 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.438 -0.789 . . . . 0.0 109.696 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 58.1 tttt -64.08 -41.0 97.47 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.371 -0.83 . . . . 0.0 109.304 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -63.22 -34.21 77.16 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.282 -0.886 . . . . 0.0 108.623 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -59.67 -31.76 69.85 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.538 -0.727 . . . . 0.0 109.207 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 76' ' ' LEU . 71.6 mt -122.97 11.55 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.585 -0.697 . . . . 0.0 109.756 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.0 -34.11 22.8 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.719 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.29 15.81 52.24 Favored Glycine 0 N--CA 1.488 2.109 0 O-C-N 121.119 -1.224 . . . . 0.0 110.497 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.77 -87.77 0.14 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 120.862 -1.376 . . . . 0.0 108.528 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -69.75 -34.41 73.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.89 -30.4 71.49 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.604 -0.685 . . . . 0.0 109.471 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -57.89 -40.55 80.57 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.212 -0.93 . . . . 0.0 109.262 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.0 -43.26 86.52 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.95 -39.52 87.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.712 0.768 . . . . 0.0 109.06 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.48 ' O ' ' OG ' ' A' ' 72' ' ' SER . 10.1 p -163.74 99.19 0.89 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -99.59 4.88 46.0 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.266 -0.896 . . . . 0.0 109.569 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -93.89 -76.14 0.49 Allowed 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.181 -0.949 . . . . 0.0 110.254 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.2 p -66.96 -37.22 83.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.34 -0.85 . . . . 0.0 111.166 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 63' ' ' ILE . 31.6 tp -68.29 -35.64 78.16 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.535 -1.353 . . . . 0.0 109.725 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.578 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.2 t60 -60.14 -45.48 92.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.247 -0.908 . . . . 0.0 109.718 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.51 -42.22 92.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.109 -0.994 . . . . 0.0 108.511 179.336 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.762 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.9 ttt -58.75 -36.43 74.34 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.39 -32.68 71.55 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.5 m -56.8 -37.75 71.58 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.69 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 62.3 mt -60.43 -41.31 93.73 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.508 -0.745 . . . . 0.0 109.595 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.546 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.0 mt -85.44 -45.37 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.231 -0.918 . . . . 0.0 111.336 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.478 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -72.91 -46.51 52.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.287 -0.883 . . . . 0.0 111.209 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.37 100.71 9.38 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.955 -1.091 . . . . 0.0 109.606 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.51 -36.86 85.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.376 -0.827 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.72 -47.4 83.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.183 -0.948 . . . . 0.0 110.291 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -66.0 -42.67 89.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.982 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.68 -37.89 89.03 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -45.64 72.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.428 -0.795 . . . . 0.0 109.698 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.3 -44.23 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.595 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -64.85 -41.95 95.3 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.2 -0.937 . . . . 0.0 109.558 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.15 -40.96 97.75 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 108.812 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.7 tp -64.61 -41.26 96.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.369 -0.832 . . . . 0.0 108.919 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.8 ' ND2' HD11 ' B' ' 144' ' ' ILE . 2.1 m120 -60.65 -42.33 96.75 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.324 -0.86 . . . . 0.0 109.444 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -66.3 -49.05 68.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.31 -0.869 . . . . 0.0 109.055 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.488 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 41.9 m -62.05 -44.66 96.21 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.401 -0.812 . . . . 0.0 109.221 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 90.4 mmm -62.65 -38.54 90.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.163 -0.96 . . . . 0.0 109.392 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 m -62.69 -46.21 89.19 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.105 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.578 HD21 ' SG ' ' A' ' 124' ' ' CYS . 52.1 tp -67.18 -43.31 82.51 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.629 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 45.3 t80 -61.03 -43.06 99.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.546 -0.721 . . . . 0.0 109.199 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -62.67 -39.05 92.72 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.366 -0.834 . . . . 0.0 109.746 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.14 -42.25 99.07 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.37 -0.832 . . . . 0.0 110.034 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.578 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 16.2 mmtt -64.76 -45.43 86.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.043 -1.035 . . . . 0.0 109.437 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.629 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 52.8 mt -67.75 -36.58 80.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.177 -0.952 . . . . 0.0 108.644 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.592 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 31.6 tttp -60.85 -46.22 91.44 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.9 mt-30 -63.11 -36.77 84.7 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.807 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -58.97 -31.95 69.21 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.648 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 68.1 tttt -58.85 -34.84 72.04 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.611 -0.681 . . . . 0.0 109.942 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -175.36 -26.29 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.093 -1.004 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -47.45 158.04 0.62 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.48 141.12 85.46 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.972 2.448 . . . . 0.0 112.692 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.3 m-90 -106.01 135.72 46.97 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -152.09 174.31 13.85 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.955 -1.091 . . . . 0.0 110.58 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.63 -39.84 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.673 -0.642 . . . . 0.0 109.369 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 61.5 mtt -57.75 -39.16 76.73 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.846 -1.159 . . . . 0.0 108.702 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 32.9 tp -61.48 -40.16 93.53 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 82.8 tttt -62.24 -48.8 78.34 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.542 0.687 . . . . 0.0 109.758 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -68.96 -40.95 78.58 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.436 -0.79 . . . . 0.0 109.572 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.578 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -62.74 -37.77 87.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.411 -0.806 . . . . 0.0 109.5 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 104' ' ' LYS . 35.9 mt -61.71 -42.42 98.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.261 -0.899 . . . . 0.0 109.53 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.861 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.7 m95 -60.84 -37.05 80.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.274 -0.891 . . . . 0.0 108.865 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.7 94.86 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.545 -0.722 . . . . 0.0 109.555 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.578 ' SG ' HD21 ' A' ' 100' ' ' LEU . 33.9 m -62.67 -39.55 94.29 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.26 -0.9 . . . . 0.0 109.717 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.5 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -58.11 -42.48 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.36 -0.837 . . . . 0.0 109.974 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.65 -40.15 93.89 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.34 -40.64 95.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.234 -0.916 . . . . 0.0 110.476 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.699 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.4 m-85 -65.04 -43.81 91.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.005 -1.059 . . . . 0.0 110.106 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 m -61.71 -36.03 79.74 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.117 -0.989 . . . . 0.0 109.842 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -65.21 -41.59 94.3 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.926 . . . . 0.0 109.822 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.559 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.6 mt -59.43 -44.93 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.096 -1.003 . . . . 0.0 110.326 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 147' ' ' LEU . 85.1 mt -67.13 -41.63 85.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.098 -1.001 . . . . 0.0 110.34 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -70.25 -46.17 64.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 111.016 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.87 -34.22 75.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.251 -0.906 . . . . 0.0 111.292 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -139.81 53.31 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.858 -1.151 . . . . 0.0 110.71 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -38.14 89.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.972 -1.08 . . . . 0.0 109.032 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.21 -25.32 66.06 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.439 -0.788 . . . . 0.0 110.642 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.445 HD21 ' HG3' ' A' ' 87' ' ' GLU . 51.8 t30 -91.48 1.44 57.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.885 -1.134 . . . . 0.0 110.315 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 83.5 mt -117.34 129.98 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.281 -0.887 . . . . 0.0 109.077 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.57 159.85 33.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.515 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.15 -44.81 94.46 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.38 -38.58 91.68 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.344 -0.848 . . . . 0.0 109.404 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 132' ' ' LEU . 45.7 m -61.63 -40.35 94.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.43 -0.793 . . . . 0.0 109.694 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.93 -40.0 79.37 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -0.906 . . . . 0.0 109.596 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -62.71 -40.87 98.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.348 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.778 HD12 HD21 ' A' ' 132' ' ' LEU . 86.6 mt -65.9 -41.76 91.09 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.354 -0.841 . . . . 0.0 109.662 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.4 -38.31 86.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.517 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -62.46 -41.27 98.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.248 -0.907 . . . . 0.0 109.056 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 95.6 mtt180 -61.67 -42.4 98.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.214 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -66.04 -41.76 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.322 -0.861 . . . . 0.0 108.795 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.583 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.5 mmtt -61.09 -39.07 88.54 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.551 -0.718 . . . . 0.0 109.793 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.714 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 34.3 t80 -57.31 -43.68 83.48 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.389 -0.819 . . . . 0.0 108.901 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.5 m -65.16 -41.4 94.74 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.278 -0.889 . . . . 0.0 108.823 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -58.48 -43.89 89.12 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.319 -0.863 . . . . 0.0 109.63 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.427 ' CG2' HG21 ' B' ' 166' ' ' ILE . 82.6 mt -69.49 -50.51 50.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 110.494 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.807 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.93 -35.97 81.18 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.216 -0.928 . . . . 0.0 110.484 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.861 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.4 tp -59.85 -37.18 78.54 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 3.9 m -66.27 -46.16 77.98 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.35 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.4 -38.07 85.76 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.616 -0.678 . . . . 0.0 109.717 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.542 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.1 mt -63.83 -41.5 97.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.81 61.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 109.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -83.63 -2.54 56.33 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.272 -0.892 . . . . 0.0 109.806 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.46 12.5 84.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -75.01 -29.19 60.79 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.26 -1.141 . . . . 0.0 109.95 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.0 mm -106.71 133.91 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.183 -0.948 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 CA-C-O 117.978 -1.457 . . . . 0.0 109.55 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 16.9 m120 -75.48 19.93 0.17 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.12 -42.2 93.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.368 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.545 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.1 m-20 -72.03 -41.01 68.01 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.419 ' HD2' HD22 ' B' ' 129' ' ' ASN . 76.2 mttt -67.0 -42.23 85.36 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.386 0.612 . . . . 0.0 109.817 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.0 tt -64.14 -47.8 78.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.544 -0.722 . . . . 0.0 110.185 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.988 HE22 HD12 ' A' ' 22' ' ' ILE . 6.3 mm-40 -71.45 -36.31 71.2 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.421 -0.799 . . . . 0.0 109.821 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.594 ' OD1' ' N ' ' B' ' 136' ' ' MET . 54.0 p30 -167.54 -123.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 0.0 109.867 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.594 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 70.3 mtm -92.43 156.92 16.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.31 -0.869 . . . . 0.0 109.908 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' B' ' 138' ' ' ASP . 62.8 tt0 -55.91 -28.57 57.4 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.466 -0.771 . . . . 0.0 109.933 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 137' ' ' GLN . 89.0 m-20 -42.06 138.63 1.54 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.772 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.37 149.7 28.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.408 -0.807 . . . . 0.0 109.964 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 68.8 mtm -57.33 -37.67 72.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.334 -0.854 . . . . 0.0 108.703 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.82 -33.23 68.39 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.91 -36.64 75.04 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 48.3 mt -58.04 -31.94 67.5 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.8 HD11 ' ND2' ' A' ' 95' ' ' ASN . 41.9 mm -67.36 -32.0 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.62 -38.55 69.64 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.12 -36.24 74.85 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.48 81.06 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -55.92 -39.2 71.32 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.979 -1.306 . . . . 0.0 107.883 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.592 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 76.9 tt0 -61.01 -33.85 73.92 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.685 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.0 tt -55.05 -44.15 74.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.52 -40.05 90.06 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.351 -0.843 . . . . 0.0 109.168 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.568 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.6 tm-20 -62.26 -37.19 84.5 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.489 -0.757 . . . . 0.0 109.701 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 109' ' ' LYS . 25.1 t -64.72 -50.14 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 0.0 110.476 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.2 mm? -66.24 -33.4 75.66 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.155 -0.965 . . . . 0.0 109.269 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.479 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -61.5 -41.81 97.86 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.265 -0.897 . . . . 0.0 109.625 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.648 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.6 mtp -66.72 -41.01 88.62 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.983 -1.073 . . . . 0.0 110.001 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.82 -46.3 90.11 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 109.814 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 15.8 t-20 -177.55 104.07 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.479 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 87.9 m-20 -57.83 -35.97 71.63 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.151 -0.968 . . . . 0.0 108.961 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 39.4 p -86.13 6.59 28.52 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . 0.592 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.45 97.8 0.06 OUTLIER Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -121.63 153.44 38.1 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.598 -0.943 . . . . 0.0 108.993 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.708 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.96 -34.39 65.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.441 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.46 -33.28 71.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.226 -0.921 . . . . 0.0 109.671 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -75.32 -27.31 59.21 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.297 -0.877 . . . . 0.0 110.133 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.4 mt -98.2 134.77 35.4 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 121.437 -0.789 . . . . 0.0 108.996 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 94.7 p -60.35 68.61 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.42 -0.8 . . . . 0.0 110.261 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.591 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -63.81 -38.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 110.759 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.68 77.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.09 -1.007 . . . . 0.0 111.176 -178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.35 -42.51 68.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.915 -1.116 . . . . 0.0 109.829 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.53 -38.33 90.71 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.691 . . . . 0.0 110.173 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.583 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.6 m-20 -60.73 -42.51 97.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.185 -0.947 . . . . 0.0 110.485 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.85 88.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.076 -1.015 . . . . 0.0 109.961 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.7 -38.12 83.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.213 -0.929 . . . . 0.0 110.19 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.507 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.14 -37.34 80.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.142 -0.974 . . . . 0.0 110.485 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -62.97 -39.7 95.48 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.007 -1.058 . . . . 0.0 109.129 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.93 -42.94 66.06 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.12 -0.987 . . . . 0.0 108.362 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.463 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.9 tp -65.67 -37.69 87.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.64 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.68 -41.54 70.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.088 -1.007 . . . . 0.0 109.061 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.37 -36.86 81.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.343 -0.848 . . . . 0.0 108.942 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.432 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -67.13 -45.3 77.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.849 . . . . 0.0 110.019 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.579 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 50.8 m-20 -72.16 -35.46 69.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.371 -0.831 . . . . 0.0 109.847 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -87.03 172.99 9.57 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.529 -0.732 . . . . 0.0 109.253 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.422 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.73 124.21 50.85 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.368 -0.832 . . . . 0.0 109.361 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.812 ' N ' HD22 ' B' ' 185' ' ' LEU . 2.5 mm? -91.27 137.32 26.27 Favored Pre-proline 0 C--N 1.303 -1.445 0 O-C-N 121.379 -0.826 . . . . 0.0 108.934 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo . . . . . 0 N--CA 1.492 1.407 0 C-N-CA 122.135 1.89 . . . . 0.0 112.224 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.42 -35.77 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.259 -0.901 . . . . 0.0 109.446 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.84 -32.12 71.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.2 -0.938 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 8' ' ' VAL . 87.2 m-20 -60.77 -37.7 82.72 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.174 -0.954 . . . . 0.0 109.223 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.887 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.59 -41.19 98.81 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.359 -0.838 . . . . 0.0 109.251 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.44 -46.82 72.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.925 . . . . 0.0 109.773 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -60.08 -42.28 94.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.25 -0.906 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 4' ' ' ASN . 70.9 t -61.29 -42.23 92.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.638 -0.664 . . . . 0.0 109.382 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 5' ' ' ALA . 71.8 t -65.78 -47.16 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.377 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -40.6 80.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.294 -0.879 . . . . 0.0 108.913 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.6 m -62.72 -38.44 90.49 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.89 86.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.336 -0.853 . . . . 0.0 108.907 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.01 -32.9 73.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.398 -0.814 . . . . 0.0 109.641 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -60.77 -42.19 97.01 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.291 -0.88 . . . . 0.0 109.914 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -64.05 -38.52 91.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.322 -0.861 . . . . 0.0 110.053 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.22 -38.85 88.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.014 -1.054 . . . . 0.0 109.238 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -60.8 -34.2 74.16 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.326 -0.859 . . . . 0.0 109.969 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.35 0.38 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.161 -0.962 . . . . 0.0 110.129 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.83 4.35 63.53 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.8 mt -99.62 33.49 2.49 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.186 -1.185 . . . . 0.0 109.085 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.28 -30.83 8.21 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.798 HD11 ' CE ' ' A' ' 79' ' ' MET . 75.0 mt -57.37 -42.95 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.033 -1.275 . . . . 0.0 109.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.4 mm -66.49 -48.59 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.133 -0.979 . . . . 0.0 108.401 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.29 -32.57 81.28 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.684 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.3 t80 -58.54 -47.18 85.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.322 -1.105 . . . . 0.0 109.7 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.532 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 34.6 m-85 -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 110.126 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.72 -41.1 98.13 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.106 -0.996 . . . . 0.0 109.955 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.26 -40.19 93.16 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.106 -0.997 . . . . 0.0 108.859 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.24 -39.89 89.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.403 -0.811 . . . . 0.0 109.244 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 6.6 t80 -64.36 -43.75 93.59 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.468 -0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.14 -35.69 81.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.771 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -61.61 -50.78 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.078 -1.014 . . . . 0.0 109.613 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.58 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.9 mt-10 -67.03 -30.07 70.05 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.887 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.8 tp -59.84 -43.63 94.51 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.4 mt -66.02 -44.15 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 109.188 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.03 -35.74 81.73 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.573 -0.704 . . . . 0.0 109.731 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -67.79 -14.52 63.02 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -87.98 124.2 33.48 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.368 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.23 -35.66 80.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.235 -0.915 . . . . 0.0 109.862 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.58 125.71 33.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.138 -0.976 . . . . 0.0 109.976 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.483 ' NH1' ' OG1' ' A' ' 46' ' ' THR . 34.6 mtm105 -139.59 141.32 37.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.405 -0.81 . . . . 0.0 109.594 179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.461 ' H ' ' HB2' ' A' ' 45' ' ' MET . 88.8 p -114.26 162.58 16.38 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -53.61 -35.36 60.83 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.933 -1.104 . . . . 0.0 108.733 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.06 -43.36 71.36 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.345 -0.847 . . . . 0.0 110.024 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.461 ' HB2' ' H ' ' A' ' 42' ' ' SER . 89.5 mtp -70.01 -40.78 75.05 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.032 -1.043 . . . . 0.0 109.902 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' ' NH1' ' A' ' 41' ' ' ARG . 49.9 m -61.99 -43.37 98.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -0.888 . . . . 0.0 109.366 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.63 74.22 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.454 -0.779 . . . . 0.0 109.75 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.17 -39.34 92.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.73 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.15 94.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.14 -0.975 . . . . 0.0 109.437 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -62.15 -45.83 91.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.355 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.26 -38.16 76.37 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.66 -37.23 86.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 109.929 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 79.7 mt -58.48 -39.4 79.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.06 -1.025 . . . . 0.0 109.466 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.01 -42.35 99.06 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.231 -0.918 . . . . 0.0 109.639 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.7 m -64.6 -45.47 86.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.909 . . . . 0.0 110.136 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.28 -50.21 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.083 -1.011 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.66 -38.63 91.06 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.276 -0.89 . . . . 0.0 109.528 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.54 -41.76 88.21 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.167 -0.958 . . . . 0.0 109.027 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -69.04 -48.86 61.81 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.354 -0.841 . . . . 0.0 109.61 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 64' ' ' GLY . 55.0 tttt -63.79 -40.24 96.18 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.413 -0.804 . . . . 0.0 109.422 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -63.02 -33.87 76.34 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.18 -31.47 69.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.561 -0.712 . . . . 0.0 109.155 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.683 ' O ' HG22 ' A' ' 63' ' ' ILE . 71.5 mt -123.43 10.25 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.542 -0.724 . . . . 0.0 109.776 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -53.38 -37.9 56.42 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.39 2.99 65.27 Favored Glycine 0 N--CA 1.489 2.227 0 O-C-N 121.208 -1.172 . . . . 0.0 110.208 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.47 -37.03 82.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.965 -1.314 . . . . 0.0 109.051 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.85 -29.92 1.11 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -31.44 72.6 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.48 77.0 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.424 -0.798 . . . . 0.0 109.262 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.77 -42.84 89.92 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 108.631 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -64.52 -38.8 92.27 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.4 t -160.94 98.1 1.18 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -95.77 7.27 46.79 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.228 -0.92 . . . . 0.0 109.596 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -95.89 -75.66 0.52 Allowed 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.17 -0.957 . . . . 0.0 109.93 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -67.39 -40.4 85.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.412 -0.805 . . . . 0.0 111.382 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 tp -70.26 -36.63 74.58 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.609 -1.307 . . . . 0.0 109.857 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.589 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.7 t60 -60.34 -45.13 94.54 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.57 -41.57 92.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 O-C-N 121.161 -0.962 . . . . 0.0 108.51 179.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.798 ' CE ' HD11 ' A' ' 22' ' ' ILE . 12.5 ttt -58.21 -35.93 72.38 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.685 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.08 -32.39 70.91 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 178.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.685 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 27.7 m -56.93 -37.71 71.89 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 70.2 mt -60.21 -40.2 89.3 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.498 -0.751 . . . . 0.0 109.521 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 25' ' ' TYR . 82.1 mt -85.96 -45.61 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.181 -0.95 . . . . 0.0 111.101 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.587 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 91.1 m-70 -72.01 -46.55 56.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.263 -0.898 . . . . 0.0 111.066 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -80.54 100.79 8.76 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.831 -1.168 . . . . 0.0 109.421 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.48 -37.46 87.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.451 -0.781 . . . . 0.0 110.387 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.55 -47.49 81.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 110.347 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.644 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 74.9 tttt -66.03 -41.77 90.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.11 -0.994 . . . . 0.0 109.434 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.61 -37.56 87.79 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.322 -0.861 . . . . 0.0 108.768 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.74 -45.3 66.95 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.465 -0.772 . . . . 0.0 109.63 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.75 -46.21 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.179 -0.95 . . . . 0.0 109.712 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -64.12 -43.94 93.74 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.06 -1.025 . . . . 0.0 109.309 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.6 tpt -62.73 -43.88 97.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -65.41 -42.94 92.02 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.58 HD21 HD11 ' B' ' 144' ' ' ILE . 2.2 m120 -62.85 -40.61 98.0 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.409 -0.807 . . . . 0.0 109.097 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.09 -49.97 65.7 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.441 -0.787 . . . . 0.0 109.066 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.514 ' OG1' HD11 ' A' ' 131' ' ' ILE . 69.8 m -62.91 -44.27 96.54 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.389 -0.82 . . . . 0.0 109.083 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.3 mmm -62.1 -38.13 87.73 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 109.3 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -62.21 -46.57 88.3 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.336 -0.853 . . . . 0.0 109.104 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 55.1 tp -65.32 -43.44 91.0 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.784 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.7 t80 -60.99 -42.24 98.01 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.421 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.5 t-20 -61.78 -38.66 88.88 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.66 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.69 -42.86 99.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.317 -0.864 . . . . 0.0 109.876 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.728 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 32.0 mmtp -64.32 -45.11 89.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.169 -0.957 . . . . 0.0 109.32 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.784 HD11 ' CE2' ' A' ' 101' ' ' TYR . 69.4 mt -65.5 -36.7 84.62 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.584 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 26.2 tttp -61.37 -46.37 90.47 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.453 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.6 mt-30 -64.19 -36.78 85.19 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.779 HD11 ' CE1' ' A' ' 157' ' ' TYR . 6.5 tp -57.84 -32.71 67.89 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.643 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 50.5 tttt -58.75 -40.66 84.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.765 -0.585 . . . . 0.0 110.113 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.4 m-20 -169.34 -22.52 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.252 -0.905 . . . . 0.0 110.552 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.2 156.71 1.48 Allowed Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.92 139.4 67.79 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.837 2.358 . . . . 0.0 112.704 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 167' ' ' GLY . 2.5 m-90 -106.17 135.58 47.39 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -153.87 173.23 16.19 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.912 -1.118 . . . . 0.0 110.636 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.7 t -55.42 -39.32 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.25 -42.53 77.53 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.055 -1.028 . . . . 0.0 108.631 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' HD2' ' A' ' 104' ' ' LYS . 41.9 tp -62.28 -36.95 83.68 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.387 -0.821 . . . . 0.0 108.975 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.3 tttt -56.84 -47.57 80.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.494 -0.754 . . . . 0.0 110.055 -179.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -66.65 -39.1 88.08 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.857 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.728 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 5.2 t -63.23 -38.44 91.19 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.249 -0.907 . . . . 0.0 110.314 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 121' ' ' LEU . 91.1 mt -61.08 -39.33 89.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.911 -1.118 . . . . 0.0 109.069 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.896 ' NE1' HD21 ' A' ' 158' ' ' LEU . 54.0 m95 -61.64 -37.24 83.27 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.394 -0.817 . . . . 0.0 109.043 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -43.76 94.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.432 -0.793 . . . . 0.0 109.678 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.556 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 37.3 m -60.55 -39.51 88.2 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.714 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.4 mt -59.01 -42.76 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.322 -0.861 . . . . 0.0 110.056 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.82 -41.13 99.19 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.271 -0.893 . . . . 0.0 110.325 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.48 -40.29 94.03 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.203 -0.935 . . . . 0.0 110.46 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.543 ' HB3' HD11 ' A' ' 151' ' ' ILE . 28.2 m-85 -64.41 -43.81 93.21 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.071 -1.018 . . . . 0.0 110.269 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -61.08 -36.2 79.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.144 -0.972 . . . . 0.0 109.62 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -67.27 -44.52 79.11 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.291 -0.881 . . . . 0.0 109.687 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.602 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.1 mt -59.45 -41.93 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.143 -0.973 . . . . 0.0 110.106 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 147' ' ' LEU . 92.6 mt -68.3 -44.94 74.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.088 -1.008 . . . . 0.0 110.257 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.58 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.2 t60 -70.31 -43.16 70.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.398 -0.814 . . . . 0.0 111.371 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 134' ' ' LEU . 84.8 mt -59.51 -33.63 71.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.121 -0.987 . . . . 0.0 111.722 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -142.53 63.31 1.4 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.695 -1.253 . . . . 0.0 111.002 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -63.28 -37.7 88.29 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.064 -1.022 . . . . 0.0 109.488 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.18 -19.56 59.76 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.427 -0.796 . . . . 0.0 111.379 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.43 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 5.6 t30 -92.26 0.24 57.44 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.67 -1.269 . . . . 0.0 110.001 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 71.7 mt -116.67 129.93 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.351 -0.843 . . . . 0.0 109.102 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.0 m -70.48 159.68 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.112 -0.993 . . . . 0.0 109.586 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.35 -40.38 95.75 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.27 -0.894 . . . . 0.0 109.597 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.5 m -63.87 -44.84 91.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.261 -0.899 . . . . 0.0 109.506 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.89 -37.93 88.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.381 -0.825 . . . . 0.0 109.304 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 45.6 m -61.26 -40.08 92.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.303 -0.873 . . . . 0.0 109.648 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -57.79 -42.89 85.1 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.241 -0.912 . . . . 0.0 109.648 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -62.55 -39.86 94.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.248 -0.908 . . . . 0.0 109.33 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 132' ' ' LEU . 87.9 mt -63.79 -41.22 97.98 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.43 -0.794 . . . . 0.0 109.775 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.89 -38.76 86.8 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.447 -0.783 . . . . 0.0 109.688 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.681 ' HG3' HD11 ' B' ' 163' ' ' LEU . 15.7 tttp -62.39 -40.69 97.32 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.018 . . . . 0.0 108.595 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.24 -43.49 98.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.381 -0.824 . . . . 0.0 108.818 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -65.81 -46.0 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 16.4 mmtt -61.1 -36.92 80.96 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 154' ' ' LEU . 2.7 t80 -55.86 -44.28 77.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 85.9 m -67.23 -43.94 80.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.261 -0.899 . . . . 0.0 108.713 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -59.35 -44.1 92.73 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.389 -0.819 . . . . 0.0 109.531 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.884 HG21 HD12 ' B' ' 166' ' ' ILE . 90.7 mt -70.15 -49.55 54.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 O-C-N 120.967 -1.083 . . . . 0.0 110.663 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.779 ' CE1' HD11 ' A' ' 108' ' ' LEU . 2.3 m-85 -66.21 -35.8 81.37 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.113 -0.992 . . . . 0.0 110.932 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 1.015 HD23 HD11 ' B' ' 175' ' ' LEU . 27.0 tp -60.13 -35.67 75.8 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.607 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.61 -39.93 73.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.281 -0.887 . . . . 0.0 109.507 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -60.48 -39.21 86.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 109.338 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.46 -36.47 76.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 108.494 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.569 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.47 -28.7 69.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.505 -0.747 . . . . 0.0 109.399 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -80.77 -16.03 54.87 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.16 -0.962 . . . . 0.0 109.369 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.5 11.81 79.41 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.498 -1.841 . . . . 0.0 108.498 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.59 -29.81 61.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.538 -0.977 . . . . 0.0 109.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.32 131.81 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.164 -0.96 . . . . 0.0 108.758 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.46 ' C ' ' CE3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.069 0 CA-C-O 118.068 -1.406 . . . . 0.0 109.709 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' B' ' 130' ' ' ILE . 85.8 mt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.485 ' N ' HG22 ' B' ' 128' ' ' ILE . 12.2 m120 -75.11 19.82 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 18.9 tt -64.14 -41.73 93.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.543 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.2 m-20 -75.13 -40.81 59.5 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 119.533 -0.867 . . . . 0.0 108.733 178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' B' ' 135' ' ' ASP . 80.5 mttt -66.15 -40.36 90.52 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.409 0.623 . . . . 0.0 110.027 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -47.37 79.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -0.816 . . . . 0.0 110.263 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.734 HE22 HD12 ' A' ' 22' ' ' ILE . 13.4 mm100 -68.51 -35.41 77.45 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.606 -0.684 . . . . 0.0 110.099 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 136' ' ' MET . 51.2 p30 -155.1 -131.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.065 -1.022 . . . . 0.0 110.069 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.536 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 87.3 mtp -97.72 -168.91 1.75 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.872 . . . . 0.0 109.921 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.428 HE22 ' HD3' ' B' ' 132' ' ' LYS . 98.1 mm-40 -54.93 -27.75 45.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.449 -0.782 . . . . 0.0 109.541 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -50.04 149.14 2.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 109.801 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.37 166.34 12.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.295 -0.878 . . . . 0.0 109.482 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 67.2 mtm -57.18 -39.87 76.2 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.227 -0.92 . . . . 0.0 109.483 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.44 -33.87 75.67 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.119 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.99 -38.29 82.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 108.877 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 143' ' ' LEU . 9.8 mp -57.44 -34.14 68.65 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.58 HD11 HD21 ' A' ' 95' ' ' ASN . 62.4 mt -67.98 -30.39 48.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.84 -38.55 72.81 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . 0.452 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.4 -35.85 74.74 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.48 -32.69 82.07 Favored Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -55.66 -38.6 69.81 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.966 -1.314 . . . . 0.0 107.522 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.584 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 74.3 tt0 -60.55 -33.12 72.21 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.693 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.8 tt -54.24 -43.8 71.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -60.81 -40.15 91.64 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.416 -0.802 . . . . 0.0 109.303 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.433 ' C ' ' OE1' ' B' ' 152' ' ' GLU . 12.2 tm-20 -62.3 -40.0 94.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.433 -0.792 . . . . 0.0 109.601 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -65.85 -51.28 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.187 -0.946 . . . . 0.0 110.004 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.49 HD11 ' OH ' ' A' ' 153' ' ' TYR . 3.2 mm? -67.46 -32.54 73.46 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.178 -0.951 . . . . 0.0 108.99 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.18 86.78 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.372 -0.83 . . . . 0.0 108.94 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.643 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.8 mtp -63.32 -32.06 73.38 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.051 -1.031 . . . . 0.0 108.524 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.572 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 20.3 t-20 -77.53 3.61 13.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.513 -0.742 . . . . 0.0 109.299 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.7 t-20 85.59 101.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 CA-C-O 121.452 0.644 . . . . 0.0 109.927 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -58.73 -33.51 70.32 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.421 -0.799 . . . . 0.0 109.175 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . 0.492 ' OG ' ' OD1' ' B' ' 158' ' ' ASN . 83.2 p -58.53 -19.05 34.34 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -57.01 102.22 0.2 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.9 tp10 -100.84 153.33 19.57 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -1.152 . . . . 0.0 109.871 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.681 HD11 ' HG3' ' A' ' 149' ' ' LYS . 29.6 mt -52.87 -31.78 41.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.418 -0.801 . . . . 0.0 109.314 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . 0.404 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 92.4 m-20 -59.95 -23.59 63.69 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.318 -0.864 . . . . 0.0 109.941 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -74.66 -22.49 58.86 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.13 -0.981 . . . . 0.0 109.928 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.884 HD12 HG21 ' A' ' 156' ' ' ILE . 5.6 pt -107.97 138.64 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.218 -0.926 . . . . 0.0 109.346 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . 0.557 ' O ' HD12 ' B' ' 171' ' ' LEU . 69.7 m -57.79 76.05 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.361 -0.837 . . . . 0.0 110.257 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.5 t0 -61.39 -36.38 80.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.915 . . . . 0.0 110.304 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.92 -48.36 80.77 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.094 -1.004 . . . . 0.0 111.33 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -70.69 -44.37 67.11 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.847 -1.158 . . . . 0.0 109.546 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.634 HD13 HG23 ' A' ' 156' ' ' ILE . 13.2 mt -61.23 -38.64 87.38 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.731 -0.606 . . . . 0.0 109.855 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.6 m-20 -66.47 -43.74 84.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.02 -40.05 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 110.396 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.1 -30.41 70.91 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.037 -1.04 . . . . 0.0 109.855 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 1.015 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -66.25 -43.79 85.5 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.147 -0.971 . . . . 0.0 110.629 -179.323 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -63.02 -41.3 99.52 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.012 -1.055 . . . . 0.0 109.538 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.46 61.05 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.094 -1.003 . . . . 0.0 108.924 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' ' 162' ' ' ALA . 34.7 tp -63.75 -37.9 89.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -60.25 -40.59 90.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 109.595 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.42 -35.94 76.99 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.885 . . . . 0.0 109.244 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.412 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 4.1 tm-20 -67.67 -44.55 77.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.329 -0.857 . . . . 0.0 109.875 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.412 ' CG ' ' OE1' ' B' ' 181' ' ' GLU . 28.4 m-20 -76.25 -35.39 58.99 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 110.195 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.47 173.3 10.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.417 -0.802 . . . . 0.0 109.266 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.406 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.71 123.21 49.11 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.455 -0.778 . . . . 0.0 109.158 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.799 ' N ' HD22 ' B' ' 185' ' ' LEU . 2.7 mm? -91.04 137.36 26.57 Favored Pre-proline 0 C--N 1.302 -1.478 0 O-C-N 121.265 -0.897 . . . . 0.0 108.923 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 N--CA 1.491 1.361 0 C-N-CA 122.15 1.9 . . . . 0.0 112.193 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.58 78.05 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.229 -0.919 . . . . 0.0 109.516 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -60.34 -35.63 76.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.292 -0.88 . . . . 0.0 109.584 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' HG23 ' A' ' 8' ' ' VAL . 49.5 t30 -60.21 -38.07 82.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.43 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.563 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.13 -39.43 92.53 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.16 95.37 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.905 . . . . 0.0 109.819 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 48.7 ttt-85 -59.79 -41.2 90.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.939 . . . . 0.0 109.118 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.7 t -60.61 -39.91 82.93 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.29 -46.96 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.256 -0.902 . . . . 0.0 109.011 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.54 80.14 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.525 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 91.5 m -61.57 -38.62 88.19 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.26 80.43 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.6 -31.89 71.98 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.385 -0.822 . . . . 0.0 109.307 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.8 -41.08 94.95 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.377 -0.827 . . . . 0.0 109.558 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -63.91 -38.88 92.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.375 -0.828 . . . . 0.0 109.751 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.2 -39.66 91.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.054 -1.029 . . . . 0.0 108.955 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -60.76 -32.39 71.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.446 -0.784 . . . . 0.0 109.457 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.95 -5.1 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.904 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.96 4.89 62.96 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 20' ' ' LEU . 63.2 mt -95.65 60.99 2.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.978 -1.307 . . . . 0.0 109.28 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.33 -34.54 85.3 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.63 HD12 HE22 ' B' ' 134' ' ' GLN . 79.8 mt -57.64 -43.27 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.321 . . . . 0.0 109.7 -179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -65.83 -49.68 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.017 -1.052 . . . . 0.0 108.768 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.46 -32.64 81.85 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.633 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 88.5 t80 -58.71 -48.9 79.57 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.381 -1.07 . . . . 0.0 109.891 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 37.7 m-85 -67.31 -35.13 78.81 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.116 -0.99 . . . . 0.0 109.821 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.2 mt -64.33 -40.85 96.71 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.078 -1.014 . . . . 0.0 110.166 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.467 HE22 HG21 ' A' ' 55' ' ' THR . 96.3 mt-30 -60.45 -39.52 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.901 -1.124 . . . . 0.0 108.506 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.07 -38.79 91.94 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 34' ' ' LEU . 65.2 t80 -64.52 -44.35 91.16 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.631 -0.668 . . . . 0.0 110.554 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.04 89.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 110.382 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -61.08 -47.9 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.071 -1.018 . . . . 0.0 110.286 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.592 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.5 mt-10 -64.29 -33.03 74.89 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.345 -0.847 . . . . 0.0 109.745 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.767 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.89 -46.94 87.2 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.877 . . . . 0.0 109.876 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.16 -40.64 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.41 -0.806 . . . . 0.0 109.667 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.98 -34.43 77.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.353 -0.842 . . . . 0.0 109.799 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.9 p -67.73 -16.5 64.17 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -78.68 125.8 29.86 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 119.526 -0.87 . . . . 0.0 109.668 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.93 -34.76 78.49 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.319 -0.863 . . . . 0.0 109.551 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -96.74 125.95 41.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -132.93 143.37 49.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.361 -0.837 . . . . 0.0 109.571 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.464 ' H ' ' HB2' ' A' ' 45' ' ' MET . 50.2 m -114.11 160.23 19.17 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.9 -34.92 57.1 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.924 -1.11 . . . . 0.0 108.475 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.89 -42.59 73.21 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.27 -0.894 . . . . 0.0 109.868 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.464 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.4 mtp -72.25 -42.78 65.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.98 -1.075 . . . . 0.0 109.82 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 67.1 m -63.5 -42.9 98.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.325 -0.859 . . . . 0.0 109.524 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.24 80.16 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.25 -41.21 98.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.897 . . . . 0.0 109.624 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.47 87.31 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.162 -0.961 . . . . 0.0 109.333 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -61.79 -45.67 92.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.409 -0.807 . . . . 0.0 110.316 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.9 -38.76 73.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.825 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.2 mt -64.0 -37.43 87.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.094 -1.004 . . . . 0.0 109.733 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.6 -39.96 81.89 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.062 . . . . 0.0 109.261 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.85 -43.0 99.95 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.269 -0.895 . . . . 0.0 109.188 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.467 HG21 HE22 ' A' ' 28' ' ' GLN . 56.0 m -66.72 -46.4 75.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.244 -0.91 . . . . 0.0 109.696 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.8 mt -61.76 -49.44 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.373 -0.829 . . . . 0.0 109.387 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.1 -39.98 95.23 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -41.72 78.8 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.217 -0.927 . . . . 0.0 108.91 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.1 t80 -61.61 -47.24 86.36 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.464 -0.773 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' A' ' 64' ' ' GLY . 33.3 tttt -62.81 -37.9 88.58 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.429 -0.794 . . . . 0.0 109.393 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.35 -34.99 78.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 0.0 109.238 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.27 -31.13 69.94 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.327 -0.858 . . . . 0.0 109.62 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 63' ' ' ILE . 5.3 mt -122.82 9.48 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.457 -0.777 . . . . 0.0 109.957 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.29 -38.16 61.31 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.8 1.75 65.41 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.876 -1.367 . . . . 0.0 109.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.68 -28.63 1.4 Allowed 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.64 -30.97 71.76 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.97 83.0 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.422 -0.799 . . . . 0.0 109.277 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.64 -44.49 77.22 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.32 -39.23 92.16 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.8 t -159.97 97.05 1.26 Allowed 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.7 p30 -97.59 7.55 46.26 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.228 -0.92 . . . . 0.0 109.639 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.7 -76.59 0.49 Allowed 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.21 -0.931 . . . . 0.0 109.954 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.9 p -67.89 -39.43 83.67 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.381 -0.824 . . . . 0.0 111.43 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.8 tp -71.08 -36.99 72.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.581 -1.324 . . . . 0.0 109.967 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 85.0 t60 -60.43 -45.16 94.63 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.2 -0.938 . . . . 0.0 109.639 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.663 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.89 -41.29 92.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.62 ' HE2' HD11 ' A' ' 22' ' ' ILE . 9.5 ttt -58.34 -35.86 72.55 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.07 -32.81 71.29 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 178.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.597 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.1 m -56.89 -37.02 70.79 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 67.6 mt -60.07 -39.83 87.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.483 -0.76 . . . . 0.0 109.109 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.464 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -85.12 -45.85 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.178 -0.951 . . . . 0.0 110.976 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.632 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 92.3 m-70 -72.48 -47.34 49.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.25 -0.906 . . . . 0.0 111.055 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -83.6 99.87 10.46 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.905 -1.122 . . . . 0.0 109.899 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.9 mp0 -64.91 -35.73 82.09 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.426 -0.797 . . . . 0.0 110.426 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' HG3' HD21 ' A' ' 138' ' ' ASN . 85.0 tt0 -60.89 -48.42 81.89 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.124 -0.985 . . . . 0.0 110.395 -178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HE2' HD13 ' B' ' 130' ' ' ILE . 44.6 tttp -67.14 -40.49 86.75 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.012 -1.055 . . . . 0.0 108.768 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.22 -37.61 86.0 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -46.77 67.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.547 -0.72 . . . . 0.0 109.487 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.3 mt -61.3 -47.3 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.217 -0.927 . . . . 0.0 110.093 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.4 ' CE1' ' HB3' ' B' ' 134' ' ' GLN . 41.4 t80 -62.64 -43.83 97.81 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.116 -0.99 . . . . 0.0 109.35 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -62.83 -43.75 97.96 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 48.7 tp -65.16 -41.63 94.49 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -61.81 -42.42 98.99 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.484 -0.76 . . . . 0.0 109.39 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -66.17 -49.32 67.77 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.294 -0.879 . . . . 0.0 108.958 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.477 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.1 m -61.72 -44.64 96.54 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.416 -0.803 . . . . 0.0 109.113 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 86.8 mmm -62.4 -39.72 94.16 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.25 -0.906 . . . . 0.0 109.234 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.6 m -63.88 -46.33 85.42 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.364 -0.835 . . . . 0.0 109.039 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 HD21 ' SG ' ' A' ' 124' ' ' CYS . 54.4 tp -66.19 -45.19 81.67 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' CE2' HD11 ' A' ' 105' ' ' LEU . 44.8 t80 -61.65 -43.42 98.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.569 -0.707 . . . . 0.0 109.415 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 49.3 t-20 -62.29 -37.9 87.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.335 -0.853 . . . . 0.0 109.75 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -62.77 -42.62 99.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.335 -0.853 . . . . 0.0 110.039 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 121' ' ' LEU . 51.8 mmtt -64.19 -44.93 90.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.031 -1.043 . . . . 0.0 109.544 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' CE2' ' A' ' 101' ' ' TYR . 44.0 mt -66.01 -36.79 84.22 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.172 -0.955 . . . . 0.0 108.432 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.573 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.0 tttp -61.03 -46.15 91.9 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.77 -36.77 84.17 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.822 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.7 tp -57.99 -32.92 68.35 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.8 tttt -59.08 -41.42 87.97 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.766 -0.584 . . . . 0.0 109.93 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.2 m-20 -166.97 -4.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 111.052 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -67.21 157.14 51.77 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.68 138.23 63.15 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.765 2.31 . . . . 0.0 112.356 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.433 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.7 m-90 -106.0 135.29 47.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.065 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -154.88 172.21 18.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.06 -1.025 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.5 t -55.66 -38.82 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.721 -0.612 . . . . 0.0 109.457 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.413 ' HG3' HH21 ' A' ' 119' ' ' ARG . 51.3 ttm -56.64 -42.75 79.42 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.071 -1.018 . . . . 0.0 108.992 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.51 -35.92 80.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.253 -0.904 . . . . 0.0 108.917 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.474 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.2 tttt -57.23 -47.01 82.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.509 -0.744 . . . . 0.0 110.091 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.413 HH21 ' HG3' ' A' ' 116' ' ' MET . 74.0 mtm180 -66.09 -40.57 90.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.395 -0.816 . . . . 0.0 109.894 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 9.0 m -61.94 -38.95 90.38 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.435 -0.791 . . . . 0.0 109.945 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 104' ' ' LYS . 88.2 mt -61.6 -42.65 99.18 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.119 -0.988 . . . . 0.0 109.21 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.867 ' NE1' HD21 ' A' ' 158' ' ' LEU . 47.1 m95 -62.65 -37.91 88.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.288 -0.883 . . . . 0.0 108.651 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.467 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -65.11 -40.1 94.06 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.66 -0.65 . . . . 0.0 109.46 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.568 ' SG ' HD21 ' A' ' 100' ' ' LEU . 63.2 m -63.86 -40.12 95.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.393 -0.817 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.545 HG23 HG23 ' A' ' 151' ' ' ILE . 94.1 mt -58.57 -42.15 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.895 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.78 -40.01 86.8 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.138 -0.976 . . . . 0.0 109.935 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.51 -40.08 95.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.427 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.697 ' HB3' HD11 ' A' ' 151' ' ' ILE . 16.9 m-85 -64.79 -43.82 91.98 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.093 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -61.15 -36.61 80.24 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.199 -0.938 . . . . 0.0 109.73 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.645 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 84.2 m -65.08 -43.01 93.55 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.209 -0.932 . . . . 0.0 109.896 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.477 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.2 mt -59.2 -43.92 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 110.087 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 147' ' ' LEU . 81.1 mt -68.69 -44.49 73.87 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.123 -0.986 . . . . 0.0 109.958 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.592 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.1 t60 -69.46 -45.67 68.5 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.505 -0.747 . . . . 0.0 110.983 -179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 134' ' ' LEU . 89.8 mt -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.295 -0.878 . . . . 0.0 111.472 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -136.69 60.06 1.67 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.849 -1.157 . . . . 0.0 110.757 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -62.8 -36.48 83.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.127 -0.983 . . . . 0.0 109.674 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.67 -23.72 59.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.364 -0.835 . . . . 0.0 111.473 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.438 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.7 t30 -92.35 0.09 57.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.666 -1.271 . . . . 0.0 110.145 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.404 HD13 HD23 ' A' ' 132' ' ' LEU . 72.5 mt -118.03 125.96 74.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.506 -0.746 . . . . 0.0 109.187 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -71.14 159.59 34.41 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.245 -0.909 . . . . 0.0 109.725 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.61 -40.11 92.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.239 -0.913 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.0 m -65.05 -46.3 81.78 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.24 -0.913 . . . . 0.0 109.442 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.7 p -66.57 -31.97 73.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.285 -0.884 . . . . 0.0 108.911 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.518 HG23 HD22 ' A' ' 132' ' ' LEU . 47.1 m -62.35 -41.02 98.26 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.468 -0.77 . . . . 0.0 109.039 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.01 -37.97 78.14 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.482 -0.761 . . . . 0.0 109.318 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 t -61.46 -42.83 99.37 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -0.876 . . . . 0.0 109.233 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 132' ' ' LEU . 91.2 mt -65.88 -41.49 91.51 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.367 -0.833 . . . . 0.0 109.527 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -61.42 -36.87 81.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.377 -0.827 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.2 -39.99 94.59 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.274 -0.891 . . . . 0.0 109.006 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -61.22 -42.39 98.52 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.0 109.189 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.697 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.2 mt -65.96 -40.66 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.333 -0.854 . . . . 0.0 108.826 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.6 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.2 mmtt -61.09 -40.11 92.47 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.59 -0.694 . . . . 0.0 109.895 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.711 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 40.9 t80 -57.45 -43.66 84.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.96 -41.23 95.65 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -58.71 -43.87 90.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.425 -0.797 . . . . 0.0 109.649 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.47 -50.6 49.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.187 -0.946 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.822 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -66.99 -35.72 80.58 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.217 -0.927 . . . . 0.0 110.35 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.867 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 m -65.4 -45.37 84.26 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.492 -0.755 . . . . 0.0 109.207 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -61.66 -38.95 89.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.556 -0.715 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.559 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -63.82 -41.56 97.83 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.495 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.604 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.34 -24.64 61.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.429 -0.794 . . . . 0.0 109.69 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.556 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.3 mtpt -84.05 -3.97 58.43 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.332 -0.855 . . . . 0.0 109.824 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.72 12.2 84.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -74.99 -28.63 60.62 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.279 -1.13 . . . . 0.0 109.896 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.559 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.4 mm -106.52 132.92 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.285 -0.884 . . . . 0.0 109.234 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 CA-C-O 118.018 -1.434 . . . . 0.0 109.586 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.532 ' C ' ' H ' ' B' ' 130' ' ' ILE . 70.8 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.423 HD22 ' HD2' ' B' ' 132' ' ' LYS . 14.3 m120 -76.28 20.13 0.22 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.663 HD12 HG22 ' A' ' 78' ' ' VAL . 21.1 tt -63.45 -42.83 97.62 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.598 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.7 m-20 -75.13 -41.07 59.16 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 119.504 -0.878 . . . . 0.0 108.844 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.423 ' HD2' HD22 ' B' ' 129' ' ' ASN . 55.2 mttm -65.73 -41.09 92.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.533 0.683 . . . . 0.0 109.652 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.13 -47.42 80.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.462 -0.774 . . . . 0.0 109.646 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.63 HE22 HD12 ' A' ' 22' ' ' ILE . 6.3 mm-40 -71.25 -37.86 71.94 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.681 -0.637 . . . . 0.0 109.894 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.6 ' OD2' HD21 ' B' ' 143' ' ' LEU . 54.0 t0 -150.02 89.49 1.6 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.073 -1.017 . . . . 0.0 110.041 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.37 -30.02 70.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 109.679 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -55.56 -37.65 68.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 0.0 110.771 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' OD1' ' OD2' ' B' ' 135' ' ' ASP . 50.4 p30 -164.38 -160.36 0.53 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.787 -1.196 . . . . 0.0 110.628 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.424 ' OE1' ' CB ' ' B' ' 131' ' ' ASP . 75.7 mm-40 -101.7 164.87 11.52 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.457 -0.777 . . . . 0.0 109.92 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 89.3 mtp -57.94 -42.31 84.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.052 -1.03 . . . . 0.0 109.312 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' B' ' 141' ' ' LEU . 3.6 mm? -63.77 -36.48 84.02 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.158 -0.964 . . . . 0.0 108.773 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -60.66 -37.28 81.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.403 -0.811 . . . . 0.0 109.183 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.6 HD21 ' OD2' ' B' ' 135' ' ' ASP . 68.2 mt -57.8 -36.22 71.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.014 -1.054 . . . . 0.0 108.662 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.3 mt -68.49 -31.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 O-C-N 120.948 -1.095 . . . . 0.0 108.294 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -58.69 -37.88 77.03 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . 0.522 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 26.1 mt-30 -59.43 -35.5 74.15 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.32 -34.36 87.91 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 108.245 -1.942 . . . . 0.0 108.245 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -56.12 -38.86 71.35 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.965 -1.315 . . . . 0.0 107.814 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.573 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 82.5 tt0 -60.54 -33.7 73.05 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.1 tt -54.99 -44.98 74.98 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -61.8 -40.54 95.57 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.347 -0.846 . . . . 0.0 109.173 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -62.5 -39.23 92.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.58 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.436 HG22 ' HD2' ' A' ' 109' ' ' LYS . 34.3 t -64.44 -50.63 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.278 -0.889 . . . . 0.0 110.287 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.711 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.83 -33.36 75.44 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.137 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.01 95.9 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.397 -0.814 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.0 mtp -64.62 -38.84 92.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.075 -1.016 . . . . 0.0 109.45 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.4 t-20 -60.87 -37.95 83.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.366 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.81 109.52 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.504 -0.748 . . . . 0.0 109.028 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.89 -35.12 70.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 46.9 p -82.61 1.97 35.58 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.62 97.94 0.06 OUTLIER Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -121.69 154.78 36.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.559 -0.965 . . . . 0.0 109.08 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.716 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -54.48 -33.4 59.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.181 -0.95 . . . . 0.0 109.339 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.33 -33.02 70.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.325 -0.859 . . . . 0.0 109.575 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -75.4 -23.61 57.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.657 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 41.2 mt -101.77 134.79 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.202 -0.936 . . . . 0.0 108.92 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 20.5 t -60.09 69.62 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.335 -0.853 . . . . 0.0 110.156 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.7 t0 -64.56 -38.08 89.77 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 110.62 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.01 -48.81 77.21 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.11 -0.994 . . . . 0.0 111.253 -178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.36 -43.0 67.77 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.899 -1.126 . . . . 0.0 109.808 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.19 -38.28 90.54 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.527 -0.733 . . . . 0.0 110.184 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.6 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.8 m-20 -60.55 -43.13 97.58 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.13 -0.981 . . . . 0.0 110.477 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.37 -41.36 85.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.105 -0.997 . . . . 0.0 109.862 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.556 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -66.07 -37.35 85.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 110.119 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 158' ' ' LEU . 18.8 tp -66.62 -36.18 81.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.999 -1.063 . . . . 0.0 110.524 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.475 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 30.7 m-20 -61.7 -36.98 82.47 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.034 -1.041 . . . . 0.0 108.436 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.79 -41.55 71.5 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.604 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.8 mt -67.1 -37.81 84.57 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.455 -0.778 . . . . 0.0 110.166 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.26 -42.44 77.42 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.106 -0.996 . . . . 0.0 109.136 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.02 -38.68 86.97 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.348 -0.845 . . . . 0.0 109.043 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -68.04 -43.14 79.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.408 -0.808 . . . . 0.0 109.333 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.448 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 35.5 m-20 -73.2 -33.42 65.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.475 -0.765 . . . . 0.0 109.607 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.41 173.59 8.28 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.52 -0.738 . . . . 0.0 109.223 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.413 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.57 123.32 49.23 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.438 -0.789 . . . . 0.0 109.146 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.809 ' N ' HD22 ' B' ' 185' ' ' LEU . 2.7 mm? -91.06 138.04 26.18 Favored Pre-proline 0 C--N 1.302 -1.458 0 O-C-N 121.282 -0.886 . . . . 0.0 108.932 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 N--CA 1.493 1.443 0 C-N-CA 122.156 1.904 . . . . 0.0 112.217 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.61 78.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.302 -0.874 . . . . 0.0 109.434 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -60.08 -36.03 76.48 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.222 -0.924 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -60.44 -36.69 78.82 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.215 -0.928 . . . . 0.0 109.376 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.946 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.14 -39.5 92.81 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.391 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.29 91.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.294 -0.879 . . . . 0.0 109.699 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttt85 -60.13 -42.68 95.32 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.226 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -42.14 92.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.22 -46.3 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.312 -0.867 . . . . 0.0 109.2 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.51 82.85 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 108.971 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -61.77 -38.56 88.49 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.99 82.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -61.1 -31.49 71.17 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.466 -0.771 . . . . 0.0 109.095 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.47 -40.24 90.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.407 -0.808 . . . . 0.0 109.116 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -63.72 -36.74 84.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.487 -0.758 . . . . 0.0 109.398 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.71 -41.78 95.9 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.111 -0.993 . . . . 0.0 108.801 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -60.1 -30.4 69.23 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.43 -10.64 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.469 -0.769 . . . . 0.0 109.666 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.14 4.75 62.75 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 110.264 -1.134 . . . . 0.0 110.264 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 79.6 mt -96.94 60.33 1.73 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.099 -1.236 . . . . 0.0 109.181 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.14 -34.19 78.44 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.7 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.7 mt -57.73 -43.04 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.299 . . . . 0.0 109.625 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -66.56 -49.72 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 120.952 -1.093 . . . . 0.0 108.68 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.87 -32.46 79.69 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.2 t80 -58.86 -48.46 81.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.404 -1.056 . . . . 0.0 109.832 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 38.7 m-85 -67.51 -36.25 80.69 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.107 -0.995 . . . . 0.0 110.207 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.08 -41.77 98.52 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.039 -1.038 . . . . 0.0 109.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.421 HE22 HG21 ' A' ' 55' ' ' THR . 94.9 mt-30 -62.51 -40.21 96.01 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.185 -0.947 . . . . 0.0 109.07 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.1 -39.91 90.36 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.462 -0.774 . . . . 0.0 109.362 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' CZ ' HD13 ' A' ' 34' ' ' LEU . 4.9 t80 -64.04 -45.7 87.71 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.395 -0.816 . . . . 0.0 110.081 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.62 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.301 -0.874 . . . . 0.0 110.038 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.04 -51.03 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 120.98 -1.075 . . . . 0.0 109.883 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -67.06 -30.31 70.33 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.946 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 tp -60.24 -43.45 96.06 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.69 -46.36 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.355 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.83 -36.13 82.9 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.544 -0.723 . . . . 0.0 109.704 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.5 p -67.85 -14.61 63.1 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -89.43 124.93 34.92 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.357 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.37 -35.17 78.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.909 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -83.02 125.64 31.66 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.991 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -145.69 142.47 29.03 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.352 -0.842 . . . . 0.0 109.587 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.43 ' H ' ' HB3' ' A' ' 45' ' ' MET . 28.3 t -114.17 158.41 21.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.83 -35.24 56.86 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 118.813 -1.155 . . . . 0.0 108.195 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.5 -42.24 71.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.399 -0.813 . . . . 0.0 109.54 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.43 ' HB3' ' H ' ' A' ' 42' ' ' SER . 8.5 tpt -69.69 -42.61 73.86 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.104 -0.997 . . . . 0.0 109.555 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.8 m -61.32 -41.7 97.44 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.361 -0.837 . . . . 0.0 109.469 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.95 77.09 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.37 -0.831 . . . . 0.0 109.756 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.25 -39.45 92.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.245 -0.91 . . . . 0.0 109.619 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.65 92.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.197 -0.94 . . . . 0.0 109.401 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.56 -45.97 91.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.409 -0.807 . . . . 0.0 110.411 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.39 -37.68 75.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.483 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.47 -37.07 85.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.294 -0.879 . . . . 0.0 109.831 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 53' ' ' LEU . 66.1 mt -58.48 -38.94 78.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -60.91 -41.07 95.42 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.248 -0.908 . . . . 0.0 109.038 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 HG21 HE22 ' A' ' 28' ' ' GLN . 39.4 m -66.88 -44.64 80.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.33 -0.856 . . . . 0.0 109.875 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.75 -51.2 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.12 -0.988 . . . . 0.0 109.521 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.95 -38.18 87.95 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 109.546 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.78 85.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.917 . . . . 0.0 109.078 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -68.04 -48.95 64.23 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.605 ' O ' ' N ' ' A' ' 64' ' ' GLY . 47.6 tttt -64.32 -39.8 94.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.127 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -62.87 -33.79 76.01 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.88 -31.17 68.33 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.475 -0.766 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.673 ' O ' HG22 ' A' ' 63' ' ' ILE . 76.1 mt -124.77 9.98 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.531 -0.73 . . . . 0.0 109.917 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.97 -37.23 44.39 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.25 0.91 65.06 Favored Glycine 0 N--CA 1.488 2.142 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.07 -37.93 75.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.789 -1.418 . . . . 0.0 108.691 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.92 -29.77 0.83 Allowed 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -63.86 -31.27 72.4 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.57 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -60.05 -36.07 76.51 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.333 -0.855 . . . . 0.0 109.221 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.76 -39.15 90.62 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.291 -0.881 . . . . 0.0 109.344 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -58.58 -40.86 84.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.471 -0.768 . . . . 0.0 109.462 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.552 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -126.49 -62.93 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.528 -0.732 . . . . 0.0 109.073 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.57 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 68.03 -20.8 0.13 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.522 -0.736 . . . . 0.0 109.912 179.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 72' ' ' SER . 24.3 mttm -91.05 -80.85 0.33 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.054 -1.029 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.9 p -68.1 -34.47 76.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.342 -0.848 . . . . 0.0 110.548 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 63' ' ' ILE . 29.5 tp -67.76 -37.29 81.92 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.748 -1.22 . . . . 0.0 109.667 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 84.0 t60 -60.43 -45.44 93.61 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.221 -0.925 . . . . 0.0 109.534 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.642 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.19 -41.22 88.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.226 -0.921 . . . . 0.0 108.723 179.561 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.7 ' CE ' HD11 ' A' ' 22' ' ' ILE . 9.2 ttt -58.54 -36.3 73.66 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.69 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.19 -32.83 71.45 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.69 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 30.8 m -57.02 -38.41 73.08 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 61.3 mt -60.51 -41.05 93.55 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.551 -0.718 . . . . 0.0 109.814 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.418 HG23 ' CE2' ' A' ' 25' ' ' TYR . 93.7 mt -84.63 -45.06 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.203 -0.936 . . . . 0.0 111.464 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.482 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 94.6 m-70 -74.22 -46.53 41.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.13 -0.981 . . . . 0.0 111.164 -178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -80.55 100.13 8.42 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.873 -1.142 . . . . 0.0 109.573 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.38 -36.71 85.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.358 -0.839 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.8 tt0 -62.74 -47.63 82.73 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.228 -0.92 . . . . 0.0 110.314 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HE2' HD13 ' B' ' 130' ' ' ILE . 48.6 tttp -65.97 -41.63 90.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.139 -0.975 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.13 -38.01 89.49 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.372 -0.83 . . . . 0.0 108.989 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.98 -44.45 70.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.364 -0.835 . . . . 0.0 109.579 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.64 -41.23 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.247 -0.908 . . . . 0.0 109.778 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -65.42 -45.06 85.37 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.975 -1.078 . . . . 0.0 109.526 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 tpt -62.41 -41.91 99.04 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.252 -0.905 . . . . 0.0 108.795 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.97 -42.63 94.39 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.1 m120 -63.14 -41.44 99.29 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.285 -0.884 . . . . 0.0 109.139 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -65.66 -49.52 68.31 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.315 -0.866 . . . . 0.0 108.896 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.493 ' OG1' HD11 ' A' ' 131' ' ' ILE . 62.7 m -62.44 -45.21 94.12 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.5 mmm -63.63 -39.39 94.22 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.296 -0.878 . . . . 0.0 109.242 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 27.7 m -63.52 -46.38 86.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.396 -0.815 . . . . 0.0 109.166 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.453 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 60.0 tp -65.59 -44.99 84.91 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.742 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 46.0 t80 -60.63 -41.45 94.92 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.62 -0.675 . . . . 0.0 109.514 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.14 -39.0 88.43 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.31 -0.869 . . . . 0.0 110.16 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.2 -40.08 95.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.092 -1.005 . . . . 0.0 110.044 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 28.3 mmtt -64.74 -45.49 86.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 109.44 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 33.3 mt -67.64 -36.74 81.34 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.0 tttp -61.06 -46.31 91.19 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.8 mt-30 -63.61 -36.82 85.07 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.802 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.3 tp -58.15 -32.57 68.31 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.665 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 73.0 tttt -59.16 -41.63 88.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.778 -0.576 . . . . 0.0 109.87 -179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 38.6 m-20 -167.05 -5.32 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.235 -0.916 . . . . 0.0 111.094 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -66.62 157.28 50.52 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -63.27 137.91 63.5 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.78 2.32 . . . . 0.0 112.375 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.442 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 2.8 m-90 -106.07 135.66 47.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.428 -0.795 . . . . 0.0 109.019 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.4 p30 -155.27 173.11 17.09 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.056 -1.027 . . . . 0.0 110.385 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.62 -38.72 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.716 -0.615 . . . . 0.0 109.354 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.16 -42.64 77.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.892 -1.13 . . . . 0.0 108.773 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 117' ' ' LEU . 36.0 tp -62.45 -36.15 81.51 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.298 -0.876 . . . . 0.0 108.98 178.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 81.6 tttt -57.15 -47.61 80.74 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.337 -0.852 . . . . 0.0 109.858 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.21 -39.08 86.24 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.462 -0.773 . . . . 0.0 109.655 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.582 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.9 t -61.99 -39.77 93.34 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.868 . . . . 0.0 109.944 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 104' ' ' LYS . 89.2 mt -61.75 -40.1 93.94 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.139 -0.975 . . . . 0.0 109.278 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.911 ' NE1' HD21 ' A' ' 158' ' ' LEU . 52.7 m95 -61.95 -37.45 84.78 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.41 -0.807 . . . . 0.0 109.396 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -41.92 94.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.387 -0.821 . . . . 0.0 109.7 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.453 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.6 m -62.07 -39.95 94.14 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.273 -0.892 . . . . 0.0 109.695 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.46 HG23 HG23 ' A' ' 151' ' ' ILE . 95.2 mt -58.5 -42.02 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.315 -0.865 . . . . 0.0 110.019 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.0 -41.19 97.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.279 -0.888 . . . . 0.0 110.136 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.0 mt -62.03 -38.74 89.83 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.328 -0.858 . . . . 0.0 110.354 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.679 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.5 m-85 -64.76 -43.02 94.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.041 -1.037 . . . . 0.0 110.41 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.5 p -65.08 -31.75 73.12 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.024 -1.047 . . . . 0.0 109.933 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -68.79 -42.86 76.76 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.607 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 97.7 mt -59.22 -42.68 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.076 -1.015 . . . . 0.0 110.217 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 HD12 ' A' ' 147' ' ' LEU . 82.2 mt -66.89 -44.99 79.42 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.036 -1.04 . . . . 0.0 110.132 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.43 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 18.9 t60 -70.13 -41.99 73.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.279 -0.888 . . . . 0.0 111.139 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 134' ' ' LEU . 80.4 mt -60.01 -33.35 71.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.191 -0.943 . . . . 0.0 111.588 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -143.08 61.88 1.4 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.275 . . . . 0.0 111.076 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -62.46 -38.48 89.96 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.007 -1.058 . . . . 0.0 109.153 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -69.11 -26.21 64.79 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.636 -0.665 . . . . 0.0 111.356 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.454 HD21 ' HG3' ' A' ' 87' ' ' GLU . 44.0 t30 -91.65 0.74 57.47 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.742 -1.224 . . . . 0.0 110.507 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 72.1 mt -117.57 127.33 74.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.322 -0.861 . . . . 0.0 109.131 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.63 159.99 33.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.214 -0.929 . . . . 0.0 109.492 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.19 -38.54 91.42 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.205 -0.934 . . . . 0.0 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.2 m -64.85 -45.04 87.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m -63.17 -38.33 90.75 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.394 -0.816 . . . . 0.0 109.354 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.547 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.06 -39.95 91.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.451 -0.78 . . . . 0.0 109.545 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.84 -41.92 83.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.368 -0.833 . . . . 0.0 109.69 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.6 m -61.81 -40.25 94.58 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.0 109.415 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.58 HD12 HD21 ' A' ' 132' ' ' LEU . 87.1 mt -65.03 -41.34 95.33 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.348 -0.845 . . . . 0.0 109.684 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.02 -36.78 80.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.483 -0.761 . . . . 0.0 109.487 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.19 -40.6 96.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.163 -0.96 . . . . 0.0 109.136 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -61.41 -42.25 98.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.24 -0.912 . . . . 0.0 109.02 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.8 mt -66.31 -43.21 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.326 -0.859 . . . . 0.0 108.808 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.585 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 11.7 mmtt -61.16 -39.93 91.98 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.575 -0.703 . . . . 0.0 109.68 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.734 ' OH ' HD11 ' B' ' 154' ' ' LEU . 32.2 t80 -58.28 -43.78 88.17 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -40.84 91.07 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -59.03 -44.1 91.7 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.535 -0.728 . . . . 0.0 109.401 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.437 ' CG2' HG21 ' B' ' 166' ' ' ILE . 88.9 mt -69.6 -49.96 54.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 O-C-N 121.154 -0.966 . . . . 0.0 110.61 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.802 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.5 m-85 -66.41 -34.94 79.07 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.193 -0.942 . . . . 0.0 110.886 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.913 HD23 HD11 ' B' ' 175' ' ' LEU . 36.5 tp -59.2 -35.16 73.1 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.68 ' HB2' HD23 ' B' ' 175' ' ' LEU . 2.3 t -66.01 -50.08 65.51 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.559 179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -59.42 -38.55 80.91 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.633 -0.667 . . . . 0.0 109.704 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.558 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -65.48 -41.73 92.97 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.173 -0.954 . . . . 0.0 109.657 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.606 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -73.0 -24.23 60.73 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.683 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -84.12 -3.7 58.28 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.268 -0.895 . . . . 0.0 109.741 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 12.66 84.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.95 -29.09 60.83 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.236 -1.155 . . . . 0.0 109.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.558 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.3 mm -106.42 132.04 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.237 -0.915 . . . . 0.0 109.188 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.157 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.62 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.589 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.589 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 2.8 m120 -74.88 19.96 0.13 Allowed 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.642 HD12 HG22 ' A' ' 78' ' ' VAL . 19.6 tt -64.27 -41.63 92.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.537 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.3 m-20 -75.75 -43.08 48.44 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 135' ' ' ASP . 81.2 mttt -63.93 -40.47 96.53 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.451 0.643 . . . . 0.0 109.738 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.58 -47.85 82.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.496 -0.753 . . . . 0.0 110.167 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -74.08 -36.27 64.27 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.653 -0.654 . . . . 0.0 110.408 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' B' ' 136' ' ' MET . 47.0 p30 -152.03 -130.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.064 -1.022 . . . . 0.0 110.093 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.587 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 70.0 mtm -103.25 -179.24 3.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.833 . . . . 0.0 110.039 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' B' ' 138' ' ' ASP . 61.4 tt0 -49.24 -25.43 2.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.458 -0.776 . . . . 0.0 109.966 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' B' ' 137' ' ' GLN . 88.9 m-20 -42.27 147.19 0.26 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.208 -0.932 . . . . 0.0 109.553 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -92.74 155.75 17.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.411 -0.806 . . . . 0.0 109.635 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.466 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 76.7 mtp -57.13 -44.45 83.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.108 -0.995 . . . . 0.0 109.368 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.42 -34.71 78.92 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.334 -0.853 . . . . 0.0 108.759 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.2 -35.94 76.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 26.5 mt -57.95 -33.45 68.85 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.96 -30.8 49.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.135 -0.978 . . . . 0.0 108.85 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.64 -36.73 76.95 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -59.44 -35.76 74.66 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.28 83.84 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 108.075 -2.01 . . . . 0.0 108.075 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.83 -38.65 70.3 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.965 -1.315 . . . . 0.0 107.752 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.2 tt0 -60.37 -33.54 72.6 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.9 tt -54.57 -44.37 72.89 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.98 -40.22 92.6 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.358 -0.839 . . . . 0.0 109.252 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.558 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.4 tm-20 -62.28 -38.06 87.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.424 -0.798 . . . . 0.0 109.673 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.12 -50.31 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.185 -0.947 . . . . 0.0 110.347 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.734 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.4 mm? -66.5 -33.37 75.55 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.158 -0.964 . . . . 0.0 109.13 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.44 -42.82 96.91 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.665 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.2 mtp -66.48 -39.47 88.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.144 -0.972 . . . . 0.0 109.641 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -60.91 -39.23 88.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.853 . . . . 0.0 109.506 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.668 ' N ' HD22 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 171.04 106.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.443 -0.786 . . . . 0.0 109.116 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -57.9 -36.38 72.35 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.115 -0.99 . . . . 0.0 108.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.2 m -85.17 6.94 23.69 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.76 97.89 0.06 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -120.99 153.15 37.71 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.499 -1.001 . . . . 0.0 109.206 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.663 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -55.63 -33.59 64.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.171 -0.956 . . . . 0.0 109.367 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.22 -31.66 69.25 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.356 -0.84 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.15 -27.34 59.71 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 110.031 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 45.5 mt -98.76 133.25 41.96 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 108.883 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.5 m -60.14 69.6 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.378 -0.826 . . . . 0.0 110.194 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.7 t0 -62.89 -38.42 90.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.67 77.85 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.049 -1.032 . . . . 0.0 111.286 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -43.28 68.99 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.902 -1.124 . . . . 0.0 109.724 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 159' ' ' SER . 52.9 mt -64.15 -37.59 88.0 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.589 -0.694 . . . . 0.0 109.797 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.585 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.9 m-20 -58.6 -41.15 85.16 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.114 -0.991 . . . . 0.0 110.494 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.21 80.81 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.994 -1.066 . . . . 0.0 110.072 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.4 -33.97 77.21 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.173 -0.954 . . . . 0.0 109.708 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.913 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.56 -41.73 99.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.324 -0.86 . . . . 0.0 110.553 -179.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.35 -38.79 92.51 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.017 -1.052 . . . . 0.0 109.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.58 -43.75 65.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.053 -1.03 . . . . 0.0 108.982 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 162' ' ' ALA . 94.2 mt -65.28 -33.27 75.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.355 -0.84 . . . . 0.0 109.513 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.493 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.86 -41.78 83.14 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.181 -0.95 . . . . 0.0 108.711 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . 0.509 ' HB3' HD11 ' B' ' 185' ' ' LEU . 26.3 mt-30 -61.44 -32.92 72.91 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.564 -0.71 . . . . 0.0 109.206 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -61.16 -40.87 95.47 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.422 -0.799 . . . . 0.0 110.371 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -93.53 -17.93 22.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.211 -0.93 . . . . 0.0 110.233 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -93.77 173.5 7.65 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.21 -0.931 . . . . 0.0 109.14 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.1 m -109.04 123.32 48.96 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.285 -0.884 . . . . 0.0 109.449 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' B' ' 180' ' ' GLN . 6.0 mp -91.24 142.35 27.08 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 185' ' ' LEU . 77.6 Cg_exo . . . . . 0 C--N 1.31 -1.494 0 C-N-CA 122.286 1.991 . . . . 0.0 112.223 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 64.9 mtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.53 77.38 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.343 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m -60.16 -36.08 76.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.323 -0.861 . . . . 0.0 109.518 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.524 ' ND2' ' N ' ' A' ' 1' ' ' MET . 87.5 m-20 -60.43 -36.91 79.3 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.115 -0.99 . . . . 0.0 109.461 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.82 94.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 0.0 109.423 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.08 95.85 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 109.578 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.06 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.657 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 50.4 t -60.86 -43.66 96.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.16 -46.25 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.285 -0.884 . . . . 0.0 109.571 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.91 89.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.24 -0.912 . . . . 0.0 109.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.5 m -62.34 -40.62 96.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.487 -0.758 . . . . 0.0 109.319 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.31 86.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.224 -0.922 . . . . 0.0 109.137 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -60.99 -32.25 71.83 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.339 -0.85 . . . . 0.0 109.262 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -60.92 -43.12 99.04 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.385 -0.822 . . . . 0.0 109.558 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.858 ' CE2' HG21 ' A' ' 23' ' ' ILE . 86.2 m-85 -64.5 -38.97 92.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.262 -0.899 . . . . 0.0 109.714 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -61.01 -42.62 98.81 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.115 -0.991 . . . . 0.0 108.725 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tttm -61.45 -30.14 70.4 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.58 -11.95 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.6 -0.688 . . . . 0.0 109.699 -179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.33 5.04 63.89 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.5 mt -96.09 70.22 2.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.296 . . . . 0.0 109.396 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.21 -32.94 84.34 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.67 HD11 ' CE ' ' A' ' 79' ' ' MET . 77.2 mt -57.76 -43.32 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.026 -1.279 . . . . 0.0 109.915 -179.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.858 HG21 ' CE2' ' A' ' 15' ' ' PHE . 35.1 mm -66.72 -46.26 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.747 -1.221 . . . . 0.0 108.579 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.61 -33.18 81.05 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.691 ' CD1' ' CD2' ' A' ' 59' ' ' PHE . 73.8 t80 -58.82 -49.78 76.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.264 -1.139 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 45.0 m-85 -67.79 -37.82 82.53 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.185 -0.947 . . . . 0.0 110.091 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 27' ' ' LEU . 95.3 mt -64.03 -43.13 96.51 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.157 -0.964 . . . . 0.0 110.19 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' OE1' HG21 ' A' ' 55' ' ' THR . 96.7 mt-30 -60.83 -38.98 87.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.928 -1.107 . . . . 0.0 108.401 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.8 tp -65.5 -39.34 91.76 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.75 ' CE1' HD11 ' A' ' 34' ' ' LEU . 32.5 t80 -63.77 -44.13 94.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.496 -0.753 . . . . 0.0 109.879 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -65.45 -37.99 88.52 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.11 -48.07 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.192 -0.943 . . . . 0.0 110.116 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.3 mt-10 -64.04 -31.65 72.92 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.412 -0.805 . . . . 0.0 109.842 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.75 HD11 ' CE1' ' A' ' 30' ' ' TYR . 5.8 mp -61.02 -47.74 85.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.185 -0.947 . . . . 0.0 109.603 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.99 -45.93 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.295 -0.878 . . . . 0.0 109.309 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.68 -38.67 91.78 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 109.69 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -79.04 1.47 23.92 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.46 -0.775 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -98.28 127.12 44.06 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.339 -0.851 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.95 -35.68 80.52 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 109.844 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.96 125.72 39.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.215 -0.928 . . . . 0.0 110.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -139.72 120.15 14.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.827 . . . . 0.0 108.996 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.0 p -75.37 160.1 30.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.65 -35.09 65.57 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.958 -1.089 . . . . 0.0 108.656 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.87 -41.31 78.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.322 -0.861 . . . . 0.0 109.855 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.1 mtt -69.22 -38.42 78.54 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.022 -1.049 . . . . 0.0 110.021 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -58.15 -44.15 87.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.091 -1.006 . . . . 0.0 108.692 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.36 70.66 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.497 -0.752 . . . . 0.0 109.175 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.86 -39.74 92.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.366 -0.834 . . . . 0.0 109.613 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.56 85.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.101 -1.0 . . . . 0.0 109.554 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -62.93 -46.11 89.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.355 -0.841 . . . . 0.0 110.293 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.59 -40.68 92.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -64.74 -37.77 88.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.171 -0.956 . . . . 0.0 109.88 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.57 -40.55 83.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.227 -0.92 . . . . 0.0 110.002 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.61 -39.66 88.98 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.243 -0.911 . . . . 0.0 109.321 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.418 HG21 ' OE1' ' A' ' 28' ' ' GLN . 85.8 m -61.65 -37.68 84.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.449 -0.782 . . . . 0.0 110.191 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.2 mm -56.53 -51.5 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.116 -0.99 . . . . 0.0 109.276 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.3 -38.47 85.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.447 -0.783 . . . . 0.0 109.969 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.72 94.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.103 -0.998 . . . . 0.0 109.353 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.691 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 64.5 t80 -70.56 -49.05 52.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.353 -0.842 . . . . 0.0 109.913 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.6 ' O ' ' N ' ' A' ' 64' ' ' GLY . 65.7 tttt -63.57 -40.75 97.77 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.302 -0.874 . . . . 0.0 109.355 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -63.13 -33.81 76.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.94 . . . . 0.0 108.56 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.15 -31.2 68.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.597 -0.689 . . . . 0.0 109.178 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 63' ' ' ILE . 66.1 mt -124.04 9.21 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.519 -0.738 . . . . 0.0 109.733 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -55.86 -37.4 69.73 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.16 1.5 62.77 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.0 -37.87 72.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.326 . . . . 0.0 108.83 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -134.87 -30.12 1.1 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -63.21 -31.4 72.54 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.13 -36.85 78.4 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.431 -0.793 . . . . 0.0 109.157 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -42.56 85.92 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.046 -1.034 . . . . 0.0 108.379 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -65.71 -39.13 90.88 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.4 t -160.55 96.57 1.16 Allowed 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.1 p30 -97.32 8.72 44.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.11 -75.61 0.54 Allowed 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.213 -0.93 . . . . 0.0 109.968 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -67.05 -38.7 86.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.372 -0.83 . . . . 0.0 111.101 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.642 HD11 HG23 ' A' ' 63' ' ' ILE . 33.0 tp -65.35 -35.11 79.97 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.598 -1.314 . . . . 0.0 109.487 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -59.37 -45.13 92.28 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.164 -0.96 . . . . 0.0 109.203 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.631 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.18 -43.53 97.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.253 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.67 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.7 ttt -59.7 -36.55 76.75 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.672 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 31.4 t30 -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -57.39 -37.95 73.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' OE1' ' B' ' 134' ' ' GLN . 69.6 mt -59.84 -41.15 90.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.519 -0.738 . . . . 0.0 109.581 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.558 HG23 ' CE2' ' A' ' 25' ' ' TYR . 88.7 mt -83.89 -45.19 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.261 -0.899 . . . . 0.0 111.623 -179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.672 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 42.3 m-70 -77.14 -47.08 21.34 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.024 -1.047 . . . . 0.0 111.24 -177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -78.81 98.11 6.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.926 -1.109 . . . . 0.0 109.255 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.15 -36.34 83.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.449 -0.782 . . . . 0.0 110.232 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -47.38 84.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.166 -0.959 . . . . 0.0 110.335 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.523 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 61.1 tttm -65.93 -41.92 90.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.036 -1.04 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.68 -38.01 88.69 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.401 -0.812 . . . . 0.0 109.002 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -46.14 72.72 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 0.0 109.752 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.9 mt -64.48 -46.37 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.78 -43.55 98.51 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.286 -0.884 . . . . 0.0 109.49 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.57 -42.24 99.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -0.943 . . . . 0.0 108.803 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.84 -40.22 94.56 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.41 -0.807 . . . . 0.0 108.882 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -63.31 -42.59 99.04 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.341 -0.849 . . . . 0.0 109.598 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 119.508 -0.877 . . . . 0.0 108.897 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.567 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.3 m -63.44 -45.83 89.1 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.336 -0.852 . . . . 0.0 108.868 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm -65.28 -39.48 92.63 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.187 -0.946 . . . . 0.0 109.889 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.0 m -62.72 -46.74 86.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.164 -0.96 . . . . 0.0 109.489 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 39.7 tp -67.05 -43.26 83.18 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.189 -0.944 . . . . 0.0 108.469 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -63.23 -43.27 98.55 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.563 -0.711 . . . . 0.0 109.553 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' B' ' 150' ' ' LEU . 51.5 t-20 -63.26 -41.42 99.04 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.198 -0.939 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.58 -39.92 92.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.085 -1.01 . . . . 0.0 110.026 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' HB3' HD21 ' A' ' 121' ' ' LEU . 19.8 mmtm -64.43 -41.98 96.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.08 -1.013 . . . . 0.0 109.475 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.724 HD22 HD11 ' B' ' 150' ' ' LEU . 9.4 mp -67.06 -36.11 81.33 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.036 -1.04 . . . . 0.0 108.723 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.578 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 12.3 tttp -60.12 -42.28 94.42 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.9 mt-30 -61.64 -36.76 81.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.4 tp -58.08 -32.94 68.54 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.663 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 31.1 tttt -59.33 -40.49 86.48 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.688 -0.632 . . . . 0.0 110.24 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.495 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.4 m-20 -168.77 -23.24 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.229 -0.919 . . . . 0.0 110.583 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -50.05 156.41 2.17 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.55 140.91 84.14 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.791 2.327 . . . . 0.0 112.488 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.463 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.8 m-90 -105.85 137.0 44.47 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 108.922 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -154.82 173.46 16.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 120.955 -1.091 . . . . 0.0 110.421 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 67.1 t -55.4 -38.89 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -55.55 -42.42 74.64 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.103 -0.998 . . . . 0.0 108.75 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.583 HD13 ' OE1' ' A' ' 107' ' ' GLN . 51.7 tp -62.17 -38.35 88.72 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.304 -0.873 . . . . 0.0 109.016 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.498 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.2 tttt -58.14 -47.57 82.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.509 -0.745 . . . . 0.0 110.074 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -68.28 -38.29 81.55 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.472 -0.768 . . . . 0.0 110.04 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.1 m -61.47 -40.66 95.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.266 -0.897 . . . . 0.0 110.434 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 104' ' ' LYS . 87.8 mt -62.28 -41.11 98.21 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 120.913 -1.117 . . . . 0.0 109.229 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.858 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.3 m95 -60.48 -39.05 86.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.386 -0.821 . . . . 0.0 109.07 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -42.51 90.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.385 -0.822 . . . . 0.0 109.415 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 34.2 m -60.93 -39.85 91.01 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.381 -0.824 . . . . 0.0 109.748 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.55 HG23 HG23 ' A' ' 151' ' ' ILE . 92.2 mt -57.79 -42.67 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.301 -0.874 . . . . 0.0 109.944 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.16 -40.82 98.66 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.091 -1.006 . . . . 0.0 109.93 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.98 -38.91 90.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.865 . . . . 0.0 110.394 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.707 ' HB3' HD11 ' A' ' 151' ' ' ILE . 17.3 m-85 -64.21 -45.18 89.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.005 -1.059 . . . . 0.0 110.328 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.9 m -62.11 -35.36 78.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.135 -0.978 . . . . 0.0 109.764 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.64 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 82.1 m -63.38 -44.8 93.7 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.285 -0.884 . . . . 0.0 110.065 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.567 HD11 ' OG1' ' A' ' 97' ' ' THR . 90.1 mt -58.97 -44.88 92.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.159 -0.963 . . . . 0.0 110.478 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.837 HD21 HD12 ' A' ' 147' ' ' LEU . 84.0 mt -67.1 -41.76 85.71 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.0 -1.062 . . . . 0.0 110.002 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.595 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 5.3 t60 -70.53 -45.74 64.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.388 -0.82 . . . . 0.0 110.571 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.76 -34.42 75.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.177 -0.952 . . . . 0.0 111.132 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -141.38 53.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.869 -1.144 . . . . 0.0 110.621 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -37.46 87.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.016 -1.053 . . . . 0.0 108.963 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.77 -26.09 66.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.506 -0.747 . . . . 0.0 110.597 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -91.5 1.14 57.34 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.034 -1.041 . . . . 0.0 110.135 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -118.29 129.78 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.334 -0.854 . . . . 0.0 109.109 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -70.6 159.9 33.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.205 -0.935 . . . . 0.0 109.498 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -39.5 94.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.253 -0.904 . . . . 0.0 109.524 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 50.3 m -62.71 -45.0 94.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.314 -0.866 . . . . 0.0 109.39 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 m -63.75 -38.91 92.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.311 -0.868 . . . . 0.0 109.379 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.593 HG23 HD22 ' A' ' 132' ' ' LEU . 42.6 m -61.76 -39.81 92.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.385 -0.822 . . . . 0.0 109.488 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.79 -41.14 81.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.345 -0.847 . . . . 0.0 109.613 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.6 t -61.88 -41.67 98.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.342 -0.849 . . . . 0.0 109.334 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 132' ' ' LEU . 83.2 mt -64.65 -41.57 96.02 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.378 -0.826 . . . . 0.0 109.671 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -61.02 -36.5 79.68 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.399 -0.813 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.493 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 20.7 tttp -61.77 -40.36 94.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.223 -0.923 . . . . 0.0 109.082 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' A' ' 150' ' ' ARG . 84.2 mtt-85 -62.34 -42.01 99.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.392 -0.818 . . . . 0.0 109.273 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.707 HD11 ' HB3' ' A' ' 128' ' ' PHE . 79.2 mt -66.04 -42.73 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 108.938 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 5.8 mmtt -60.86 -41.16 95.37 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.634 -0.666 . . . . 0.0 109.841 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.672 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 53.1 t80 -57.08 -43.56 82.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.381 -0.824 . . . . 0.0 109.381 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 121' ' ' LEU . 2.6 m -64.42 -42.2 96.18 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.197 -0.939 . . . . 0.0 109.09 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -58.75 -44.01 90.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.358 -0.839 . . . . 0.0 109.852 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.89 -50.28 50.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.176 -0.953 . . . . 0.0 110.658 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.815 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.1 m-85 -67.09 -36.08 81.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.238 -0.913 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.858 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.2 tp -59.96 -36.29 76.79 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.8 m -65.67 -43.24 89.93 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.52 -0.738 . . . . 0.0 110.051 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.474 ' NZ ' ' CZ ' ' A' ' 157' ' ' TYR . 50.0 mtmt -59.69 -37.78 79.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.171 -0.956 . . . . 0.0 109.492 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.9 mt -58.89 -35.12 72.5 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.039 -1.038 . . . . 0.0 108.233 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.565 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -65.11 -30.38 71.32 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.64 -0.663 . . . . 0.0 109.69 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' B' ' 171' ' ' LEU . 52.9 mttm -79.99 -15.99 56.09 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.055 -1.028 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.25 11.9 79.89 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.77 -28.66 60.84 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.475 -1.014 . . . . 0.0 110.039 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.2 mm -101.93 131.32 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.011 . . . . 0.0 109.023 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.463 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.231 0 CA-C-O 117.971 -1.461 . . . . 0.0 109.605 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.561 ' C ' ' H ' ' B' ' 130' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.51 ' N ' HG22 ' B' ' 128' ' ' ILE . 22.5 m120 -75.4 19.64 0.17 Allowed 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.631 HD12 HG22 ' A' ' 78' ' ' VAL . 20.8 tt -65.64 -43.18 93.94 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.271 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.567 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -69.84 -41.72 74.55 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -69.95 -40.17 75.6 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.462 0.649 . . . . 0.0 110.366 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.65 -47.82 83.67 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.378 -0.826 . . . . 0.0 110.735 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.666 ' OE1' HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -68.85 -38.29 79.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.469 -0.769 . . . . 0.0 110.211 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 53.0 p30 -166.09 160.5 16.44 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.997 -1.064 . . . . 0.0 110.159 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 64.9 mtt -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.471 -0.768 . . . . 0.0 109.666 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.529 ' HG3' HD11 ' B' ' 143' ' ' LEU . 92.7 mm-40 -46.58 150.93 0.62 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.227 -0.921 . . . . 0.0 109.648 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.584 ' OD1' ' N ' ' B' ' 139' ' ' GLU . 54.6 p30 -85.05 -125.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.403 -0.81 . . . . 0.0 110.344 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.584 ' N ' ' OD1' ' B' ' 138' ' ' ASP . 96.0 mt-10 -56.09 142.83 35.11 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.373 -0.83 . . . . 0.0 110.47 -178.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 74.4 mtm -60.63 -36.32 78.34 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 121.632 0.73 . . . . 0.0 109.668 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.519 ' N ' HD22 ' B' ' 141' ' ' LEU . 4.1 mm? -56.5 -33.67 66.22 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.843 -1.161 . . . . 0.0 108.36 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.86 -36.22 76.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.422 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' B' ' 137' ' ' GLN . 4.4 mm? -58.89 -35.98 73.9 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.183 -0.948 . . . . 0.0 108.909 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.98 -31.24 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 119.196 -1.002 . . . . 0.0 108.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -57.7 -38.78 75.81 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . 0.415 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 27.1 mt-30 -59.65 -36.18 75.89 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.62 -33.21 84.2 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -56.8 -39.35 73.97 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.036 -1.273 . . . . 0.0 108.191 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.578 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.0 tt0 -60.78 -34.25 74.21 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 105' ' ' LEU . 6.7 tt -55.3 -43.48 74.85 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -60.23 -40.17 89.26 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.295 -0.878 . . . . 0.0 108.849 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 9.4 tm-20 -62.32 -37.9 87.37 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.537 -0.727 . . . . 0.0 109.458 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.432 HG22 ' HD2' ' A' ' 109' ' ' LYS . 39.0 t -64.3 -50.6 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 110.445 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.6 mm? -66.3 -33.26 75.33 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.264 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.84 97.86 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.333 -0.854 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.663 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.3 mtp -65.11 -40.7 94.9 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 109.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.82 -42.93 98.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.196 -0.94 . . . . 0.0 109.665 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.585 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 19.8 t-20 -177.49 107.42 0.06 Allowed 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -57.25 -36.25 70.73 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.112 -0.993 . . . . 0.0 108.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.5 m -85.41 6.53 26.26 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . 0.585 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.93 97.72 0.06 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.493 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.9 tp10 -124.28 152.63 42.81 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.507 -0.996 . . . . 0.0 108.939 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.634 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.29 -34.12 63.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.096 -1.002 . . . . 0.0 109.507 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . 0.408 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.5 m-20 -59.17 -33.77 71.32 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.32 -0.862 . . . . 0.0 109.34 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -75.76 -21.04 57.83 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.391 -0.818 . . . . 0.0 109.718 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.592 ' O ' ' N ' ' B' ' 168' ' ' ASP . 39.2 mt -101.2 132.11 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.257 -0.902 . . . . 0.0 108.94 -179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.6 m -59.6 70.57 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.209 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.592 ' N ' ' O ' ' B' ' 166' ' ' ILE . 54.1 t0 -62.98 -36.61 84.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.891 . . . . 0.0 110.953 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.84 77.2 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.168 -0.957 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -42.55 68.89 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.736 -1.228 . . . . 0.0 109.763 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.7 mt -63.19 -38.52 91.48 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.448 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 93.2 m-20 -61.1 -42.68 98.96 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.168 -0.958 . . . . 0.0 110.426 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.92 86.73 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.025 -1.047 . . . . 0.0 109.995 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.53 -37.06 84.19 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.171 -0.956 . . . . 0.0 110.281 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.481 HD11 HD23 ' A' ' 158' ' ' LEU . 18.9 tp -67.81 -35.09 78.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.921 -1.112 . . . . 0.0 110.495 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.485 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.0 m-20 -62.23 -40.64 96.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.943 -1.098 . . . . 0.0 109.347 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.62 -42.68 67.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.07 -1.019 . . . . 0.0 108.476 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 162' ' ' ALA . 31.5 tp -64.73 -38.53 91.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.479 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.67 -41.64 77.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.1 -1.0 . . . . 0.0 109.698 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . 0.459 ' O ' HD21 ' B' ' 185' ' ' LEU . 26.4 mt-30 -61.71 -36.34 80.63 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.2 -0.938 . . . . 0.0 109.257 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.39 -47.19 74.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.364 -0.835 . . . . 0.0 110.31 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.42 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 27.9 m-20 -70.48 -37.86 74.3 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.385 -0.822 . . . . 0.0 109.917 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -80.43 172.88 13.19 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.582 -0.699 . . . . 0.0 109.16 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.468 ' C ' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.26 120.97 44.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.323 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.735 HD23 ' N ' ' B' ' 185' ' ' LEU . 0.2 OUTLIER -91.14 142.05 26.92 Favored Pre-proline 0 C--N 1.301 -1.504 0 C-N-CA 119.378 -0.929 . . . . 0.0 108.863 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo . . . . . 0 C--N 1.307 -1.641 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.58 78.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.351 -0.843 . . . . 0.0 109.578 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -60.76 -32.87 72.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.218 -0.926 . . . . 0.0 109.259 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.53 -37.94 82.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.208 -0.933 . . . . 0.0 109.148 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.573 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.25 -39.48 92.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.372 -0.83 . . . . 0.0 109.418 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.37 97.95 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.223 -0.923 . . . . 0.0 109.952 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -59.89 -41.65 92.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 84.3 t -60.95 -40.03 84.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.232 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.74 -47.57 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -0.917 . . . . 0.0 109.146 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.8 78.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.883 . . . . 0.0 108.675 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.424 HG21 ' SG ' ' A' ' 123' ' ' CYS . 55.8 m -61.56 -38.4 87.36 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.03 -39.45 81.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.271 -0.893 . . . . 0.0 108.597 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -60.8 -31.51 70.89 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.441 -0.787 . . . . 0.0 109.016 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.61 -40.51 92.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.419 -0.801 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.443 ' CE2' HG21 ' A' ' 23' ' ' ILE . 62.7 m-85 -63.76 -37.71 88.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.459 -0.776 . . . . 0.0 109.632 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.92 -41.57 96.42 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.09 -1.007 . . . . 0.0 109.021 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -60.23 -30.83 69.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.447 -0.783 . . . . 0.0 109.191 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.53 -8.74 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.335 -0.853 . . . . 0.0 109.79 -179.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.06 5.16 62.61 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.004 -1.093 . . . . 0.0 110.453 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 20' ' ' LEU . 69.8 mt -96.33 63.52 2.18 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.0 -1.294 . . . . 0.0 109.381 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -32.85 80.55 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.72 -43.5 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 120.979 -1.307 . . . . 0.0 109.757 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.443 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.3 mm -67.33 -48.4 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.058 -1.026 . . . . 0.0 108.824 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.56 80.32 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 81.2 t80 -58.66 -49.39 77.7 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -1.093 . . . . 0.0 109.942 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.479 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 44.7 m-85 -67.25 -36.2 81.14 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.182 -0.949 . . . . 0.0 109.943 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.4 mt -63.83 -41.87 97.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.172 -0.955 . . . . 0.0 110.156 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.411 HE22 HG21 ' A' ' 55' ' ' THR . 95.7 mt-30 -61.03 -40.62 94.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.956 -1.09 . . . . 0.0 108.65 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.65 -38.54 89.63 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.72 ' O ' HD13 ' A' ' 34' ' ' LEU . 66.2 t80 -63.38 -43.73 96.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.552 -0.717 . . . . 0.0 110.469 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.79 92.16 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.147 -0.971 . . . . 0.0 110.24 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.36 -47.3 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 110.228 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -63.9 -31.57 72.8 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.377 -0.827 . . . . 0.0 109.931 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 30' ' ' TYR . 6.4 mp -60.94 -46.85 89.03 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.209 -0.932 . . . . 0.0 109.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 80.6 mt -63.84 -47.04 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.175 -0.953 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.19 -37.24 86.7 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.461 -0.774 . . . . 0.0 109.633 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -68.17 -14.46 63.0 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.54 127.33 36.94 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.399 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.25 -35.92 81.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -91.99 125.92 36.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.285 -0.884 . . . . 0.0 110.026 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -132.05 142.53 49.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.386 -0.821 . . . . 0.0 109.387 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -109.49 157.37 19.05 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -52.13 -34.55 44.95 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.964 -1.085 . . . . 0.0 108.305 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.52 -42.8 82.21 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.376 -0.827 . . . . 0.0 110.02 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 88.4 mmm -75.36 -42.38 54.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.883 -1.136 . . . . 0.0 109.637 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.0 m -61.91 -44.95 95.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.319 -0.863 . . . . 0.0 109.54 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.55 77.84 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 109.421 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.75 -40.57 97.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.381 -0.825 . . . . 0.0 109.689 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -65.3 -39.71 92.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.169 -0.957 . . . . 0.0 109.656 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.4 m -60.02 -45.95 91.12 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.363 -0.836 . . . . 0.0 110.504 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.44 -38.0 79.55 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 109.643 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.73 -36.7 85.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.287 -0.883 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 83.1 mt -58.08 -40.02 80.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.991 -1.068 . . . . 0.0 109.259 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.05 -40.86 97.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.242 -0.911 . . . . 0.0 109.131 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 HG21 HE22 ' A' ' 28' ' ' GLN . 41.4 m -65.96 -44.16 85.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 110.036 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.75 -51.38 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.136 -0.977 . . . . 0.0 109.43 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.87 -39.64 93.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 109.551 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.66 88.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.207 -0.933 . . . . 0.0 109.105 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.8 t80 -67.72 -48.8 65.46 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.369 -0.832 . . . . 0.0 109.729 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.0 tttt -63.84 -40.42 96.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.836 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -63.11 -33.78 76.18 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -59.05 -31.39 68.81 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.094 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 63' ' ' ILE . 75.5 mt -123.44 10.04 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.557 -0.714 . . . . 0.0 109.804 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.52 -37.75 61.41 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.64 3.6 64.38 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.31 -37.09 81.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.906 -1.349 . . . . 0.0 109.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.13 -29.44 1.11 Allowed 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.1 -30.55 71.68 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.17 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.41 -0.807 . . . . 0.0 109.365 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.58 -43.7 80.32 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.176 -0.953 . . . . 0.0 108.451 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -65.27 -39.08 92.14 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 72' ' ' SER . 13.2 p -161.03 97.08 1.13 Allowed 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.4 p30 -97.71 7.32 46.62 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.15 -0.969 . . . . 0.0 109.665 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -95.32 -75.92 0.51 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 110.117 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.7 p -67.37 -38.88 85.46 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.362 -0.836 . . . . 0.0 111.247 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 63' ' ' ILE . 37.2 tp -67.93 -34.84 77.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.516 -1.365 . . . . 0.0 109.739 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.487 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.2 t60 -59.8 -45.13 93.29 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.172 -0.955 . . . . 0.0 109.596 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.658 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.62 -42.56 95.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.295 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.466 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 11.7 ttt -58.28 -36.09 72.77 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.596 ' ND2' ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.34 -32.55 71.36 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.582 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 29.2 m -56.93 -37.6 71.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.0 mt -60.36 -40.36 90.47 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.55 -0.719 . . . . 0.0 109.54 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 25' ' ' TYR . 90.4 mt -85.88 -45.21 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.255 -0.903 . . . . 0.0 111.413 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.596 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.7 m-70 -74.37 -48.13 29.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.259 -0.901 . . . . 0.0 111.069 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.73 98.46 9.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.915 -1.116 . . . . 0.0 109.8 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 9.0 mp0 -64.49 -35.12 79.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.33 -0.856 . . . . 0.0 109.931 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.8 tt0 -60.53 -47.7 85.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.171 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' CE ' HD13 ' B' ' 130' ' ' ILE . 44.3 tttp -67.07 -41.86 85.67 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.039 -1.038 . . . . 0.0 108.95 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.46 -37.82 87.39 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -45.75 70.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.583 -0.698 . . . . 0.0 109.376 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.8 mt -65.32 -45.69 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.213 -0.929 . . . . 0.0 109.542 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.38 -44.61 96.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.212 -0.93 . . . . 0.0 109.43 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.43 -42.95 99.83 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.8 tp -63.88 -39.7 94.79 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.29 -44.1 97.3 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.429 -0.794 . . . . 0.0 109.586 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.23 -48.27 71.09 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.044 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 59.3 m -62.27 -44.4 96.62 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.489 -0.757 . . . . 0.0 109.398 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mmm -63.98 -39.62 94.54 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.183 -0.948 . . . . 0.0 109.716 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.9 t -63.25 -46.49 86.64 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.88 -46.75 77.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.929 . . . . 0.0 108.962 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.805 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 32.7 t80 -63.27 -38.63 91.93 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.497 -0.752 . . . . 0.0 109.754 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.3 -38.73 80.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.086 -1.009 . . . . 0.0 109.564 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.27 -39.52 92.7 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.13 -0.981 . . . . 0.0 109.777 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 25.2 mmtt -63.09 -45.63 91.18 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.142 -0.974 . . . . 0.0 109.583 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.805 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 62.2 mt -68.04 -36.74 80.4 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.192 -0.942 . . . . 0.0 108.505 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.588 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 27.2 tttp -60.83 -45.85 92.85 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.7 mt-30 -63.07 -36.79 84.77 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 157' ' ' TYR . 7.9 tp -58.34 -33.0 69.05 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.501 ' HB2' HG13 ' B' ' 153' ' ' VAL . 61.2 tttt -59.09 -40.77 86.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.71 -0.619 . . . . 0.0 109.975 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.486 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.2 m-20 -168.48 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.216 -0.928 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -63.34 157.82 39.97 Favored Glycine 0 N--CA 1.494 2.548 0 O-C-N 120.652 -1.28 . . . . 0.0 110.013 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.82 138.69 70.26 Favored 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.893 2.395 . . . . 0.0 112.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.441 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.4 m-90 -106.15 136.06 46.52 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.357 -0.839 . . . . 0.0 109.069 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -156.11 172.63 18.1 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.042 -1.037 . . . . 0.0 110.335 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -55.69 -38.31 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.698 -0.626 . . . . 0.0 109.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.4 ttp -54.83 -42.42 71.91 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.838 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 tp -62.54 -35.73 80.36 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.28 -0.887 . . . . 0.0 108.984 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' HG3' HD11 ' A' ' 158' ' ' LEU . 77.5 tttt -58.01 -47.41 83.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.453 -0.779 . . . . 0.0 110.021 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -67.81 -39.52 83.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.346 -0.846 . . . . 0.0 109.895 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.594 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 7.6 t -62.78 -40.01 95.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 109.812 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.227 -0.921 . . . . 0.0 109.584 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.856 ' NE1' HD21 ' A' ' 158' ' ' LEU . 44.2 m95 -61.24 -37.44 83.08 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.214 -0.929 . . . . 0.0 109.076 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' THR . 0.1 OUTLIER -66.67 -40.19 88.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.358 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.01 -39.58 95.2 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.328 -0.858 . . . . 0.0 109.638 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.428 HG23 HG23 ' A' ' 151' ' ' ILE . 97.5 mt -58.2 -42.36 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.905 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.84 -40.53 93.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.87 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.53 -39.68 94.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 110.349 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 151' ' ' ILE . 11.4 m-85 -65.59 -42.92 91.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 110.301 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.7 p -63.74 -32.56 74.1 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.046 -1.034 . . . . 0.0 109.797 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 91.2 m -69.08 -43.03 75.39 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.6 mt -58.91 -44.17 90.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.192 -0.943 . . . . 0.0 110.076 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.717 HD21 HD12 ' A' ' 147' ' ' LEU . 88.5 mt -69.84 -44.78 69.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.016 -1.052 . . . . 0.0 109.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.584 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.6 t60 -68.39 -43.75 76.64 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.541 -0.724 . . . . 0.0 111.022 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 134' ' ' LEU . 83.0 mt -60.87 -33.13 72.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.228 -0.92 . . . . 0.0 111.565 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -140.4 60.23 1.54 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.78 -1.2 . . . . 0.0 110.944 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -62.01 -38.22 87.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.907 -1.121 . . . . 0.0 109.206 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.21 -27.13 66.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.493 -0.754 . . . . 0.0 111.144 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.444 HD21 ' HG3' ' A' ' 87' ' ' GLU . 49.7 t30 -91.64 1.52 57.09 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.75 -1.219 . . . . 0.0 110.389 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 132' ' ' LEU . 78.3 mt -118.35 125.97 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.254 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m -70.93 159.93 33.79 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.351 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.4 mp0 -64.85 -38.5 91.19 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.163 -0.961 . . . . 0.0 109.512 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.4 m -65.03 -45.42 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.1 p -65.75 -33.83 76.77 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.34 -0.85 . . . . 0.0 109.145 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.522 HG23 HD22 ' A' ' 132' ' ' LEU . 50.6 m -63.33 -40.77 98.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.399 -0.813 . . . . 0.0 109.296 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -58.0 -39.41 78.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.368 -0.832 . . . . 0.0 109.592 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -61.9 -41.78 98.3 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.282 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.717 HD12 HD21 ' A' ' 132' ' ' LEU . 87.9 mt -67.19 -41.06 86.49 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.367 -0.833 . . . . 0.0 109.721 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.89 -36.58 79.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.401 -0.812 . . . . 0.0 109.394 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.4 tttp -61.63 -40.79 96.12 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.166 -0.958 . . . . 0.0 108.959 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.562 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 87.3 mtt-85 -62.27 -42.61 99.49 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.226 -0.921 . . . . 0.0 108.988 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.3 mt -65.35 -44.78 94.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.413 -0.805 . . . . 0.0 108.878 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.592 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 8.0 mmtt -61.21 -40.34 93.61 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.47 0.652 . . . . 0.0 109.506 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 49.5 t80 -57.69 -43.31 85.02 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 2.8 m -64.36 -42.99 95.93 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.338 -0.851 . . . . 0.0 108.924 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -58.81 -43.99 90.71 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.442 -0.786 . . . . 0.0 109.779 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.87 -50.36 49.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.234 -0.916 . . . . 0.0 110.661 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.789 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.7 m-85 -66.77 -35.64 80.56 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.148 -0.97 . . . . 0.0 110.498 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.856 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -59.84 -38.53 82.36 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.139 -0.976 . . . . 0.0 108.485 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.1 t -67.18 -45.32 77.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.363 -0.836 . . . . 0.0 109.593 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.72 -37.79 82.91 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.527 -0.733 . . . . 0.0 109.531 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 20.8 mt -64.27 -42.1 96.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.263 -0.898 . . . . 0.0 109.735 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.589 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -72.07 -24.31 61.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.378 -0.826 . . . . 0.0 109.669 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.565 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 14.3 mtpt -83.65 -4.48 58.62 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.344 -0.848 . . . . 0.0 109.788 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.25 11.77 85.0 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.97 -29.05 60.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.191 -1.182 . . . . 0.0 109.831 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.8 mm -107.15 132.15 55.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.239 -0.913 . . . . 0.0 109.075 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 CA-C-O 118.041 -1.422 . . . . 0.0 109.553 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.608 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.608 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 11.9 m120 -75.28 19.71 0.16 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.658 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -63.43 -43.71 98.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.566 ' N ' HG23 ' B' ' 130' ' ' ILE . 90.1 m-20 -75.87 -42.32 49.68 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 119.547 -0.861 . . . . 0.0 108.742 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.429 ' HD2' HD22 ' B' ' 129' ' ' ASN . 56.6 mttm -63.4 -39.32 94.18 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.381 0.61 . . . . 0.0 109.894 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.404 HD21 ' CE ' ' A' ' 79' ' ' MET . 1.1 tp -58.15 -47.95 81.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.234 -0.916 . . . . 0.0 109.581 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.49 -39.9 62.15 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.723 -0.61 . . . . 0.0 110.087 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.512 ' O ' ' O ' ' B' ' 131' ' ' ASP . 49.7 t0 -173.14 165.52 4.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.241 -0.912 . . . . 0.0 109.501 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.441 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 88.0 mtp -83.38 94.62 8.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.993 -1.067 . . . . 0.0 109.238 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.769 ' NE2' HD11 ' B' ' 143' ' ' LEU . 95.3 mt-30 -133.05 154.46 50.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 109.585 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.14 -71.45 0.3 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.243 -0.911 . . . . 0.0 109.632 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -135.19 154.74 51.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.305 -0.872 . . . . 0.0 109.713 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 87.9 mtp -59.65 -38.98 82.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -0.913 . . . . 0.0 109.047 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.552 ' N ' HD22 ' B' ' 141' ' ' LEU . 4.0 mm? -60.58 -33.18 72.34 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 108.463 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -59.07 -36.45 75.11 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.769 HD11 ' NE2' ' B' ' 137' ' ' GLN . 3.0 mm? -58.98 -38.26 78.74 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 46.7 mt -68.54 -32.17 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.53 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -56.67 -38.1 71.74 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -59.26 -36.35 75.34 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.75 -32.26 81.05 Favored Glycine 0 N--CA 1.484 1.877 0 N-CA-C 108.238 -1.945 . . . . 0.0 108.238 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.82 -39.61 71.63 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.884 -1.362 . . . . 0.0 107.885 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.588 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 72.0 tt0 -61.53 -33.48 73.9 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.599 ' CG ' HD12 ' A' ' 105' ' ' LEU . 7.2 tt -54.75 -44.5 73.68 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.88 -39.83 93.28 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.25 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 1.5 tm-20 -61.82 -39.39 91.59 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.447 -0.783 . . . . 0.0 109.835 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.501 HG13 ' HB2' ' A' ' 109' ' ' LYS . 40.1 t -63.54 -50.36 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.027 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.7 mm? -66.86 -34.48 77.89 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.155 -0.965 . . . . 0.0 109.425 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.54 ' O ' ' ND2' ' B' ' 159' ' ' ASN . . . -66.38 -43.36 86.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.215 -0.928 . . . . 0.0 109.753 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.56 ' SD ' ' OE2' ' B' ' 152' ' ' GLU . 53.3 mtt -68.37 -39.94 81.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.206 -0.934 . . . . 0.0 109.916 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.93 -42.4 98.09 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.0 109.406 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' B' ' 161' ' ' GLY . 16.4 t-20 -176.16 102.75 0.07 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' B' ' 155' ' ' ALA . 24.7 m120 -57.87 -35.72 71.36 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.099 -1.0 . . . . 0.0 109.122 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 42.7 p -84.4 3.96 33.66 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . 0.586 ' N ' ' OD1' ' B' ' 158' ' ' ASN . . . -56.77 97.79 0.06 OUTLIER Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' B' ' 164' ' ' ASP . 50.5 tp10 -125.03 151.97 44.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.608 -0.936 . . . . 0.0 109.138 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.646 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.31 -35.25 67.34 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.14 -0.975 . . . . 0.0 109.552 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . 0.412 ' H ' ' HG3' ' B' ' 162' ' ' GLU . 91.8 m-20 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.9 -20.64 57.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.308 -0.87 . . . . 0.0 109.636 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.2 mt -102.93 132.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.229 -0.92 . . . . 0.0 108.933 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 70.8 m -59.02 71.76 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.444 -0.785 . . . . 0.0 110.251 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.5 t0 -65.4 -38.88 91.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.182 -0.949 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.89 76.96 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.045 -1.035 . . . . 0.0 111.457 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.31 -43.11 67.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.873 -1.142 . . . . 0.0 109.812 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.21 -38.04 89.59 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.57 -0.706 . . . . 0.0 110.231 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.592 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 91.4 m-20 -60.32 -43.11 96.69 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.125 -0.984 . . . . 0.0 110.545 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.44 79.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.091 -1.006 . . . . 0.0 109.878 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.565 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 95.3 mt-10 -64.66 -36.33 83.91 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.258 -0.901 . . . . 0.0 110.191 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.527 HD11 HD23 ' A' ' 158' ' ' LEU . 22.1 tp -66.39 -35.57 80.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.918 -1.114 . . . . 0.0 110.585 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.5 m-20 -61.38 -36.99 81.78 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.948 -1.095 . . . . 0.0 108.349 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.34 -43.26 70.61 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.589 HD13 ' CB ' ' A' ' 162' ' ' ALA . 98.1 mt -66.01 -35.39 80.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.391 -0.818 . . . . 0.0 109.69 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -55.59 -40.02 71.5 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.987 -1.071 . . . . 0.0 108.261 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.68 -33.88 74.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.569 -0.707 . . . . 0.0 109.113 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -61.65 -40.93 96.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.768 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -93.53 -17.59 23.2 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.045 -1.034 . . . . 0.0 110.821 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -97.9 170.11 9.18 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.08 -1.013 . . . . 0.0 109.513 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.436 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.34 120.72 43.36 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.413 -0.805 . . . . 0.0 109.237 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.801 ' N ' HD22 ' B' ' 185' ' ' LEU . 2.5 mm? -91.77 137.68 25.38 Favored Pre-proline 0 C--N 1.299 -1.601 0 O-C-N 121.391 -0.818 . . . . 0.0 109.015 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.493 1.441 0 C-N-CA 122.131 1.887 . . . . 0.0 112.173 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.585 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 69.7 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -61.56 -35.48 77.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.296 -0.877 . . . . 0.0 109.428 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.5 p -60.9 -31.85 71.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.19 -0.944 . . . . 0.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.585 ' ND2' ' N ' ' A' ' 1' ' ' MET . 87.1 m-20 -60.82 -38.66 86.19 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.24 -0.913 . . . . 0.0 109.278 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.65 -39.71 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.162 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.58 90.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.22 -0.925 . . . . 0.0 108.912 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -59.8 -46.29 89.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.381 -0.824 . . . . 0.0 108.876 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.448 HG11 ' HD2' ' A' ' 30' ' ' TYR . 61.8 t -61.79 -39.99 85.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.46 -45.88 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.75 81.23 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 108.89 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -62.49 -38.82 91.34 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.462 -0.774 . . . . 0.0 109.214 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.23 91.13 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.292 -0.88 . . . . 0.0 109.115 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -60.84 -31.69 71.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.354 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -60.67 -41.79 95.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.315 -0.866 . . . . 0.0 109.326 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 23' ' ' ILE . 75.8 m-85 -64.02 -39.16 93.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.311 -0.868 . . . . 0.0 109.785 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.13 -39.74 91.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.026 -1.046 . . . . 0.0 108.984 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -61.02 -31.81 71.42 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.45 -0.781 . . . . 0.0 109.473 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG11 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.56 -9.48 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.912 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.64 7.98 61.22 Favored Glycine 0 N--CA 1.492 2.426 0 C-N-CA 119.941 -1.123 . . . . 0.0 110.548 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD12 HG11 ' A' ' 18' ' ' VAL . 38.6 mt -95.8 65.99 2.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.936 -1.332 . . . . 0.0 109.383 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.35 -33.86 86.12 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.2 mm -57.84 -43.62 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.025 -1.28 . . . . 0.0 109.607 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.3 mm -68.24 -47.01 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.053 -1.029 . . . . 0.0 108.825 179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.62 -32.42 78.38 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.696 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.1 t80 -58.55 -48.52 80.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.389 -1.065 . . . . 0.0 109.991 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 33.0 m-85 -67.19 -36.31 81.48 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.231 -0.918 . . . . 0.0 110.161 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -63.59 -41.36 98.36 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.035 -1.041 . . . . 0.0 109.949 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.35 -39.68 93.93 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.064 -1.022 . . . . 0.0 109.109 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -64.25 -39.55 94.19 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.4 -0.812 . . . . 0.0 109.116 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.739 ' CE1' HD11 ' A' ' 34' ' ' LEU . 19.5 t80 -63.21 -42.54 99.3 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.458 -0.776 . . . . 0.0 110.192 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.43 -36.73 85.12 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.241 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.41 -46.34 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.124 -0.985 . . . . 0.0 110.446 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CB ' ' NE2' ' A' ' 133' ' ' HIS . 77.7 mm-40 -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.237 -0.914 . . . . 0.0 110.056 -178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -60.63 -47.74 84.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.126 -0.984 . . . . 0.0 109.603 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 87.0 mt -62.26 -43.86 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.34 -33.35 75.52 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.491 -0.756 . . . . 0.0 110.154 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.0 p -67.11 -16.71 64.49 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 98.8 mt-10 -89.26 122.25 32.33 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.563 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.52 -35.54 80.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.258 -0.901 . . . . 0.0 109.691 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -86.02 125.72 33.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.204 -0.935 . . . . 0.0 109.87 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -135.96 142.71 44.6 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.363 -0.835 . . . . 0.0 109.633 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.7 m -114.11 159.77 19.67 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.39 54.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.828 -1.17 . . . . 0.0 108.487 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -70.63 -44.94 66.15 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.306 -0.871 . . . . 0.0 109.824 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.476 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.3 mtp -68.98 -40.8 78.57 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.896 -1.128 . . . . 0.0 109.82 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.4 m -62.4 -41.98 99.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.326 -0.859 . . . . 0.0 109.671 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.04 -37.23 86.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.395 -0.816 . . . . 0.0 109.77 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 50.9 tp -62.48 -42.29 99.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.17 -0.956 . . . . 0.0 109.509 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -67.37 -41.95 84.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.242 -0.911 . . . . 0.0 109.436 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.03 -45.78 91.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.5 -0.75 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.31 -38.43 74.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.192 -0.943 . . . . 0.0 109.597 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 56' ' ' ILE . 95.6 mt -64.74 -37.17 86.7 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.049 -1.032 . . . . 0.0 109.871 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.85 -39.46 81.37 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.994 -1.066 . . . . 0.0 109.206 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -61.69 -42.22 98.64 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.31 -0.869 . . . . 0.0 109.227 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.4 m -64.88 -43.05 94.19 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.885 . . . . 0.0 109.684 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 52' ' ' LEU . 1.4 mp -56.48 -51.11 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.16 -38.01 87.05 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.27 -0.894 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.05 88.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.152 -0.967 . . . . 0.0 109.058 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.696 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.7 t80 -69.98 -48.83 56.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.548 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 64' ' ' GLY . 56.9 tttt -64.01 -39.49 94.23 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.435 -0.791 . . . . 0.0 109.391 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.9 -34.01 76.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.213 -0.93 . . . . 0.0 108.586 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.22 -31.77 69.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' ILE . 74.5 mt -123.77 13.38 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.664 -0.648 . . . . 0.0 109.749 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.96 -33.43 13.46 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' ' HB2' ' A' ' 69' ' ' ALA . . . 92.26 17.73 45.39 Favored Glycine 0 N--CA 1.489 2.174 0 O-C-N 121.202 -1.175 . . . . 0.0 110.527 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.12 -88.41 0.16 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.9 -1.353 . . . . 0.0 108.557 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.7 m -68.93 -34.02 74.69 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -62.93 -31.25 72.3 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.627 -0.67 . . . . 0.0 109.364 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 65' ' ' GLY . . . -58.02 -37.94 75.27 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.203 -0.936 . . . . 0.0 108.86 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.03 -42.35 98.31 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -68.84 -40.26 79.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.539 -0.725 . . . . 0.0 109.191 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.9 t -165.83 98.97 0.66 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -100.37 7.88 44.01 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.299 -0.875 . . . . 0.0 109.462 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -95.93 -76.65 0.5 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.197 -0.94 . . . . 0.0 110.08 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.3 p -67.5 -39.33 85.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.34 -0.85 . . . . 0.0 111.259 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD11 HG12 ' A' ' 63' ' ' ILE . 35.0 tp -69.1 -34.91 75.84 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.663 -1.273 . . . . 0.0 109.909 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.583 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -59.81 -45.07 93.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.191 -0.943 . . . . 0.0 109.55 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.636 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -62.81 -41.0 90.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.479 ' SD ' HD21 ' B' ' 133' ' ' LEU . 9.9 ttt -58.41 -36.07 73.01 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.04 -32.74 71.19 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 178.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.4 m -56.61 -37.46 70.72 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.58 -41.32 94.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.4 mt -85.56 -45.33 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.145 -0.972 . . . . 0.0 111.265 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.9 m-70 -72.33 -46.14 56.88 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.902 . . . . 0.0 111.131 -178.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -82.37 101.45 10.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.885 -1.135 . . . . 0.0 109.583 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -36.72 85.08 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.345 -0.847 . . . . 0.0 110.071 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 138' ' ' ASN . 85.0 tt0 -62.82 -47.66 82.48 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.2 -0.937 . . . . 0.0 110.41 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -65.87 -41.89 91.03 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.116 -0.99 . . . . 0.0 109.389 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.48 -37.76 88.52 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.311 -0.868 . . . . 0.0 108.759 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -44.83 67.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.426 -0.796 . . . . 0.0 109.592 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.98 -42.76 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.22 -0.925 . . . . 0.0 109.799 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.99 -43.93 90.97 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.058 -1.026 . . . . 0.0 109.598 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.58 -41.72 99.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.006 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.37 -42.71 98.88 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.451 -0.781 . . . . 0.0 109.061 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' B' ' 140' ' ' MET . 94.2 m-20 -63.36 -40.5 97.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.237 -0.915 . . . . 0.0 109.341 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -65.09 -49.75 68.77 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.526 -0.869 . . . . 0.0 109.007 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.478 ' OG1' HD11 ' A' ' 131' ' ' ILE . 72.9 m -63.46 -45.12 92.3 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.423 -0.798 . . . . 0.0 108.961 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.0 mmm -62.69 -39.36 93.76 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.338 -0.851 . . . . 0.0 109.352 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -63.32 -46.74 85.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.309 -0.869 . . . . 0.0 109.075 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.2 tp -67.04 -45.03 78.68 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.789 ' CE2' HD11 ' A' ' 105' ' ' LEU . 64.6 t80 -61.19 -43.36 99.01 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.581 -0.7 . . . . 0.0 109.351 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -61.84 -37.73 85.56 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.904 . . . . 0.0 109.796 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.25 -41.93 98.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.294 -0.879 . . . . 0.0 110.115 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -64.67 -45.33 87.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.135 -0.978 . . . . 0.0 109.458 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.789 HD11 ' CE2' ' A' ' 101' ' ' TYR . 49.8 mt -65.19 -36.86 85.52 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.184 -0.947 . . . . 0.0 108.547 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.9 tttp -61.62 -46.23 90.72 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -63.38 -36.72 84.65 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.628 HD11 ' CE2' ' A' ' 157' ' ' TYR . 6.4 tp -57.94 -32.91 68.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.651 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 71.3 tttt -58.83 -39.51 81.45 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.726 -0.609 . . . . 0.0 110.046 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 37.0 m-20 -167.49 -18.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.278 -0.889 . . . . 0.0 110.632 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -54.17 155.34 7.55 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.49 140.22 74.69 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.778 2.319 . . . . 0.0 112.551 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.473 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.2 m-90 -106.09 135.8 46.9 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -155.52 172.57 18.03 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.01 -1.056 . . . . 0.0 110.416 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.0 t -55.48 -39.01 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.85 -42.69 80.14 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.069 -1.02 . . . . 0.0 108.778 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.39 -36.86 83.63 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.381 -0.824 . . . . 0.0 108.917 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 87.0 tttt -57.02 -47.48 80.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.481 -0.762 . . . . 0.0 109.94 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -65.4 -38.61 90.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.485 -0.759 . . . . 0.0 110.002 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.6 p -65.34 -35.47 81.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.192 -0.943 . . . . 0.0 110.1 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 121' ' ' LEU . 87.1 mt -62.37 -39.16 92.26 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.093 -1.004 . . . . 0.0 109.134 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.891 ' NE1' HD21 ' A' ' 158' ' ' LEU . 56.9 m95 -62.62 -38.42 90.14 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.429 -0.794 . . . . 0.0 109.434 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -41.92 99.31 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.427 -0.796 . . . . 0.0 109.69 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 m -61.93 -39.72 93.01 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.8 mt -58.99 -42.53 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.317 -0.865 . . . . 0.0 110.084 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -62.32 -41.78 98.83 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.195 -0.941 . . . . 0.0 110.501 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.18 -39.39 89.96 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.287 -0.883 . . . . 0.0 110.663 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.613 ' HB3' HD11 ' A' ' 151' ' ' ILE . 20.0 m-85 -63.73 -42.64 97.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.967 -1.083 . . . . 0.0 110.357 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -62.44 -36.71 83.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.01 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.493 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -65.74 -41.19 92.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.856 -179.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.478 HD11 ' OG1' ' A' ' 97' ' ' THR . 95.0 mt -59.42 -44.34 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.045 -1.034 . . . . 0.0 110.431 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 147' ' ' LEU . 81.2 mt -67.03 -41.78 86.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.992 -1.067 . . . . 0.0 110.019 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.519 ' NE2' ' CB ' ' A' ' 33' ' ' GLU . 6.8 t60 -70.4 -45.92 65.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.379 -0.826 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.493 HD12 ' SG ' ' A' ' 130' ' ' CYS . 91.1 mt -59.89 -34.72 73.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.213 -0.93 . . . . 0.0 111.395 -178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 -144.39 54.06 1.26 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.762 -1.211 . . . . 0.0 110.716 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -38.75 92.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.899 -1.125 . . . . 0.0 109.128 179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.42 -24.41 65.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.641 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.432 HD21 ' HG3' ' A' ' 87' ' ' GLU . 46.3 t30 -91.43 1.69 56.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.917 -1.114 . . . . 0.0 110.098 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 86.5 mt -117.02 131.96 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.438 -0.789 . . . . 0.0 109.031 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.6 m -70.31 160.02 33.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.26 -38.04 89.64 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 0.0 109.44 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 44.0 m -63.2 -45.06 93.5 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.231 -0.918 . . . . 0.0 109.373 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 m -63.47 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.406 -0.809 . . . . 0.0 109.338 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.1 m -61.29 -39.97 92.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.75 -41.87 82.78 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.372 -0.83 . . . . 0.0 109.531 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.5 m -62.21 -40.51 96.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.235 -0.915 . . . . 0.0 109.316 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.489 HD12 HD21 ' A' ' 132' ' ' LEU . 89.3 mt -65.03 -41.57 95.15 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.432 -0.792 . . . . 0.0 109.708 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.34 -37.11 82.13 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.456 -0.777 . . . . 0.0 109.468 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -62.25 -41.41 98.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 108.98 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.84 -42.71 99.37 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.306 -0.872 . . . . 0.0 109.081 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.613 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.7 mt -66.0 -43.18 92.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.593 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.18 -38.39 86.34 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.611 -0.681 . . . . 0.0 109.764 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.687 ' OH ' HD11 ' B' ' 154' ' ' LEU . 17.1 t80 -60.27 -43.99 95.72 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.419 -0.801 . . . . 0.0 108.932 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -43.3 82.34 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.307 -0.871 . . . . 0.0 108.887 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -59.12 -44.17 92.0 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.372 -0.83 . . . . 0.0 109.551 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.912 HG21 HD12 ' B' ' 166' ' ' ILE . 89.7 mt -70.04 -48.72 61.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 O-C-N 120.943 -1.098 . . . . 0.0 110.791 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.628 ' CE2' HD11 ' A' ' 108' ' ' LEU . 1.4 m-85 -65.03 -35.73 82.12 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.191 -0.943 . . . . 0.0 110.73 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 1.055 HD23 HD11 ' B' ' 175' ' ' LEU . 30.7 tp -59.87 -35.94 75.86 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.611 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.2 OUTLIER -70.36 -39.72 74.47 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.261 -0.9 . . . . 0.0 109.411 179.131 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.46 -39.05 86.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.859 . . . . 0.0 109.446 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.11 -36.89 75.96 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.182 -0.948 . . . . 0.0 108.543 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' B' ' 178' ' ' LEU . . . -64.69 -29.78 70.78 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.499 -0.751 . . . . 0.0 109.643 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -78.43 -16.15 57.89 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.083 -1.011 . . . . 0.0 109.239 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.05 11.12 79.43 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -74.68 -28.44 60.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.461 -1.023 . . . . 0.0 109.775 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.409 HG22 ' CD1' ' A' ' 113' ' ' TRP . 17.4 mm -102.44 132.36 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.118 -0.989 . . . . 0.0 109.065 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.473 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.183 0 CA-C-O 117.947 -1.474 . . . . 0.0 109.614 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.587 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.2 pt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.587 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.4 m120 -74.38 20.05 0.12 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.636 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -63.64 -39.71 86.36 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.514 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -72.22 -40.55 67.73 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.427 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -73.63 -37.4 65.38 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.459 -0.776 . . . . 0.0 109.704 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.479 HD21 ' SD ' ' A' ' 79' ' ' MET . 3.6 tp -58.2 -46.93 84.94 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' B' ' 135' ' ' ASP . 4.2 mm-40 -64.62 -38.94 92.73 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.465 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.46 ' CG ' ' O ' ' B' ' 134' ' ' GLN . 6.7 m-20 -178.63 167.26 1.77 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.797 . . . . 0.0 109.243 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.444 ' O ' ' C ' ' B' ' 137' ' ' GLN . 70.8 mtm -57.39 -29.05 63.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.28 -0.888 . . . . 0.0 109.091 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' B' ' 136' ' ' MET . 92.7 mt-30 -41.0 153.77 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.835 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -89.54 -135.79 0.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.293 -0.879 . . . . 0.0 110.275 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -55.4 144.35 25.79 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.363 -0.835 . . . . 0.0 110.411 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.476 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 68.0 mtm -61.59 -37.98 85.88 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.829 0.823 . . . . 0.0 109.322 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' B' ' 141' ' ' LEU . 93.2 mt -58.28 -33.66 69.68 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 109.073 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -59.07 -36.19 74.64 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 39.4 mt -58.77 -32.81 69.64 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.94 -30.28 47.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 C-N-CA 119.144 -1.023 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.73 -37.15 78.13 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.46 -35.66 74.5 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 177.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.32 83.58 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.14 -1.984 . . . . 0.0 108.14 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -55.76 -38.53 69.97 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.8 tt0 -60.35 -33.63 72.7 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.686 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.9 tt -54.9 -44.5 74.19 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.72 -40.53 95.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.382 -0.824 . . . . 0.0 109.246 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.2 tm-20 -62.64 -37.65 87.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.528 -0.732 . . . . 0.0 109.611 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 109' ' ' LYS . 24.5 t -64.68 -50.21 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 0.0 110.437 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.687 HD11 ' OH ' ' A' ' 153' ' ' TYR . 2.9 mm? -66.16 -33.39 75.66 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.136 -0.977 . . . . 0.0 109.309 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.88 -43.02 99.0 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.2 -0.938 . . . . 0.0 109.491 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.651 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.0 mtp -66.87 -39.39 87.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.612 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.522 ' OD1' ' ND2' ' B' ' 158' ' ' ASN . 19.8 t-20 -60.84 -39.69 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.258 -0.901 . . . . 0.0 109.509 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.522 ' ND2' ' OD1' ' B' ' 157' ' ' ASN . 0.8 OUTLIER 169.5 106.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.409 -0.807 . . . . 0.0 109.17 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.2 -34.8 70.77 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.231 -0.918 . . . . 0.0 108.974 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 48.8 p -82.13 1.89 34.01 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.51 98.23 0.07 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -125.88 153.76 43.7 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.517 -0.99 . . . . 0.0 109.372 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.604 ' N ' HD12 ' B' ' 163' ' ' LEU . 8.3 mp -54.34 -35.46 62.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.395 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.47 -29.72 70.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.421 -0.8 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -74.93 -21.78 58.99 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.103 -0.998 . . . . 0.0 110.182 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.912 HD12 HG21 ' A' ' 156' ' ' ILE . 4.4 pt -109.65 139.56 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.909 . . . . 0.0 109.464 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . 0.712 ' O ' HD12 ' B' ' 171' ' ' LEU . 29.0 t -60.35 80.74 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.396 -0.815 . . . . 0.0 110.163 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.487 ' OD1' ' OD2' ' B' ' 172' ' ' ASP . 46.1 t0 -62.6 -36.53 83.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 110.266 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.6 79.19 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.114 -0.991 . . . . 0.0 111.155 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -71.22 -45.19 63.83 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.854 -1.154 . . . . 0.0 109.389 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.734 HD13 HG23 ' A' ' 156' ' ' ILE . 12.2 mt -60.93 -38.85 87.23 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.752 -0.592 . . . . 0.0 109.934 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.593 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -67.46 -44.1 79.46 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.079 -1.013 . . . . 0.0 110.347 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.55 -39.85 84.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.255 -0.903 . . . . 0.0 110.371 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.64 -32.82 74.6 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.151 -0.968 . . . . 0.0 109.728 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 1.055 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -63.15 -43.37 98.51 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.042 -1.036 . . . . 0.0 110.671 -179.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.53 -40.6 97.45 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.01 -1.056 . . . . 0.0 109.543 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.18 67.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.002 . . . . 0.0 109.329 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 162' ' ' ALA . 88.5 mt -65.38 -34.86 79.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.289 -0.882 . . . . 0.0 110.079 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.543 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.84 -43.48 85.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.078 -1.014 . . . . 0.0 109.072 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.33 -37.31 82.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.388 -0.82 . . . . 0.0 109.461 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.4 tm-20 -69.13 -45.61 69.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.244 -0.91 . . . . 0.0 110.08 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.575 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 40.2 m-20 -72.24 -35.53 68.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.431 -0.793 . . . . 0.0 110.174 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.73 173.34 12.4 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.242 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.448 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.37 119.0 38.15 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.375 -0.828 . . . . 0.0 109.267 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.461 ' N ' HD12 ' B' ' 185' ' ' LEU . 6.0 mp -91.42 140.37 25.46 Favored Pre-proline 0 C--N 1.3 -1.547 0 O-C-N 121.313 -0.867 . . . . 0.0 108.99 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo . . . . . 0 C--N 1.312 -1.374 0 C-N-CA 122.23 1.953 . . . . 0.0 112.226 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.73 78.57 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.278 -0.889 . . . . 0.0 109.438 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -60.91 -34.29 74.46 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.13 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 8' ' ' VAL . 24.8 m120 -61.02 -36.74 80.31 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.262 -0.899 . . . . 0.0 109.104 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.641 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.17 -39.62 93.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.487 -0.758 . . . . 0.0 109.428 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.57 -47.67 75.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.197 -0.939 . . . . 0.0 109.601 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -59.91 -39.14 84.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.204 -0.935 . . . . 0.0 109.034 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 4' ' ' ASN . 65.7 t -60.27 -41.84 88.43 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.36 -46.38 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.194 -0.941 . . . . 0.0 109.308 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.77 83.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.294 -0.879 . . . . 0.0 108.862 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -61.43 -38.87 88.72 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.457 -0.777 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.94 84.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.223 -0.923 . . . . 0.0 108.734 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -61.46 -32.21 72.2 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.366 -0.834 . . . . 0.0 109.272 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -60.64 -41.23 94.5 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.346 -0.846 . . . . 0.0 109.391 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -63.69 -37.06 85.93 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.337 -0.852 . . . . 0.0 109.672 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.99 -42.15 97.88 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.065 -1.022 . . . . 0.0 108.889 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -60.72 -30.28 69.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.505 -0.747 . . . . 0.0 109.069 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.36 -10.57 11.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.51 -0.744 . . . . 0.0 109.723 -179.511 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.13 4.82 62.73 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' H ' HG12 ' A' ' 18' ' ' VAL . 78.2 mt -95.96 55.3 1.57 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.068 -1.254 . . . . 0.0 109.237 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.54 -32.72 61.44 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.561 HG21 ' OE1' ' B' ' 134' ' ' GLN . 5.4 mm -57.64 -43.14 82.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.02 -1.283 . . . . 0.0 109.37 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.45 -48.03 74.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 120.985 -1.072 . . . . 0.0 108.697 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.55 -32.2 77.31 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.659 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 83.2 t80 -58.32 -47.98 81.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.357 -1.084 . . . . 0.0 109.769 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 36.7 m-85 -67.42 -36.46 81.28 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.17 -0.956 . . . . 0.0 110.029 179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.89 -41.31 99.38 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.068 -1.02 . . . . 0.0 110.02 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.437 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -62.23 -40.7 97.03 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.082 -1.011 . . . . 0.0 109.012 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.34 -40.36 89.81 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.371 -0.831 . . . . 0.0 109.368 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 34' ' ' LEU . 10.2 t80 -66.28 -44.92 82.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.314 -0.866 . . . . 0.0 110.316 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.79 -36.65 85.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.083 -1.011 . . . . 0.0 109.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.8 t -61.55 -48.75 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.571 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.1 mt-10 -62.76 -31.21 72.12 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 ' HB2' ' A' ' 5' ' ' ALA . 1.3 tp -60.6 -48.05 83.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.465 -0.772 . . . . 0.0 109.62 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.07 -43.13 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.29 -0.881 . . . . 0.0 109.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.89 -38.52 91.25 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.365 -0.835 . . . . 0.0 109.603 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 m -78.19 1.44 21.42 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.413 -0.804 . . . . 0.0 109.095 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.06 125.71 39.9 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.261 -0.9 . . . . 0.0 109.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.64 -37.1 85.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.267 -0.896 . . . . 0.0 109.864 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -88.09 125.7 34.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.232 -0.918 . . . . 0.0 110.084 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -139.88 140.96 36.61 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.342 -0.849 . . . . 0.0 109.576 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.459 ' H ' ' HB2' ' A' ' 45' ' ' MET . 86.0 p -114.12 161.51 17.67 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -52.91 -36.79 59.98 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.89 -1.131 . . . . 0.0 108.727 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -43.1 75.82 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.221 -0.924 . . . . 0.0 110.129 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.459 ' HB2' ' H ' ' A' ' 42' ' ' SER . 90.4 mtp -69.82 -41.46 74.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.923 -1.11 . . . . 0.0 109.762 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.4 m -63.49 -43.88 95.98 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.56 -34.63 76.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.444 -0.785 . . . . 0.0 109.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.0 tp -62.34 -40.12 95.33 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 109.691 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.61 91.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.118 -0.989 . . . . 0.0 109.559 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -61.43 -45.71 93.15 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.419 -0.8 . . . . 0.0 110.459 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.57 -38.0 74.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 109.634 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -63.7 -37.0 85.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.136 -0.978 . . . . 0.0 109.847 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -58.46 -39.48 80.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.939 -1.101 . . . . 0.0 109.244 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.84 -42.18 98.73 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.437 HG21 HE22 ' A' ' 28' ' ' GLN . 43.3 m -66.52 -46.18 77.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -0.874 . . . . 0.0 109.768 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.7 mt -60.09 -47.55 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.426 -0.796 . . . . 0.0 109.686 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.68 -38.74 92.02 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.062 -1.024 . . . . 0.0 109.135 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.3 76.29 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.33 -0.856 . . . . 0.0 108.841 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.3 t80 -65.42 -48.84 71.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.457 -0.777 . . . . 0.0 109.696 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.597 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.7 tttt -64.9 -40.45 95.11 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.279 -0.888 . . . . 0.0 109.061 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -63.06 -33.77 76.15 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.67 66.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.671 ' O ' HG22 ' A' ' 63' ' ' ILE . 75.5 mt -125.0 8.4 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.532 -0.73 . . . . 0.0 110.057 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -50.2 -37.71 31.4 Favored Glycine 0 N--CA 1.493 2.45 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.31 0.18 63.35 Favored Glycine 0 N--CA 1.489 2.211 0 O-C-N 121.297 -1.119 . . . . 0.0 110.563 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.73 -37.92 80.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.884 -1.362 . . . . 0.0 108.893 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.54 -29.09 0.7 Allowed 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.31 -31.52 72.14 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.65 -36.29 82.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.391 -0.818 . . . . 0.0 108.918 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.88 -37.69 66.59 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.908 . . . . 0.0 108.874 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.47 -40.37 86.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.38 -0.825 . . . . 0.0 109.334 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -129.61 -63.2 0.94 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 69' ' ' ALA . 1.2 t0 72.02 -23.83 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.495 -0.753 . . . . 0.0 109.67 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 72' ' ' SER . 72.9 mttt -90.04 -80.24 0.32 Allowed 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.108 -0.995 . . . . 0.0 109.656 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.1 p -67.64 -33.02 74.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 69' ' ' ALA . 40.8 tp -68.15 -37.62 81.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -61.1 -45.84 93.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.168 -0.957 . . . . 0.0 109.89 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.775 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -66.12 -40.15 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.066 -1.021 . . . . 0.0 108.68 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.453 ' CE ' HD11 ' A' ' 22' ' ' ILE . 11.3 ttt -57.88 -36.52 72.5 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.67 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.23 -32.47 71.16 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.49 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.67 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 28.0 m -56.85 -38.11 72.21 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 74.7 mt -60.23 -40.26 89.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.735 . . . . 0.0 109.494 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 25' ' ' TYR . 92.5 mt -86.16 -45.32 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.126 -0.984 . . . . 0.0 111.44 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.56 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 92.1 m-70 -74.39 -48.13 29.78 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.172 -0.955 . . . . 0.0 111.235 -178.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -79.04 99.59 6.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.906 -1.121 . . . . 0.0 109.515 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.436 -0.79 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.58 -47.5 83.57 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.152 -0.967 . . . . 0.0 110.175 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.455 ' HE2' HD13 ' B' ' 130' ' ' ILE . 51.9 tttp -65.64 -43.2 90.23 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.104 -0.997 . . . . 0.0 109.174 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.92 -38.01 89.49 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.693 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.76 -45.98 74.3 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.446 -0.784 . . . . 0.0 109.612 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.73 -42.73 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.202 -0.936 . . . . 0.0 109.572 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CZ ' ' CG ' ' B' ' 134' ' ' GLN . 53.0 t80 -64.64 -43.04 94.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.126 -0.984 . . . . 0.0 109.702 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 tpt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.181 -0.949 . . . . 0.0 108.815 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.79 -43.93 91.64 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -62.98 -40.99 99.4 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.087 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.28 -50.07 64.96 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.475 ' OG1' HD11 ' A' ' 131' ' ' ILE . 56.8 m -62.26 -43.64 98.37 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.445 -0.784 . . . . 0.0 108.931 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 83.9 mmm -62.52 -38.34 89.56 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.282 -0.886 . . . . 0.0 109.614 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -63.82 -47.28 81.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.4 tp -67.41 -41.46 84.87 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.162 -0.961 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.635 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 44.3 t80 -62.36 -41.85 98.93 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.644 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.0 t-20 -62.23 -39.66 93.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.457 -0.777 . . . . 0.0 110.188 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.173 -0.954 . . . . 0.0 109.928 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -62.58 -45.71 91.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.027 -1.046 . . . . 0.0 109.77 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.963 HD12 HD11 ' B' ' 150' ' ' LEU . 30.5 mt -70.81 -35.41 72.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.239 -0.913 . . . . 0.0 108.556 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.555 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 16.3 tttp -59.37 -43.45 92.88 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.5 mt-30 -65.14 -36.47 84.35 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 157' ' ' TYR . 9.9 tp -58.64 -33.33 69.95 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.632 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 66.6 tttt -59.17 -39.07 81.36 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.71 -0.619 . . . . 0.0 110.135 -179.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.5 m-20 -167.85 -20.43 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.187 -0.946 . . . . 0.0 110.795 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -54.71 156.53 7.46 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -62.74 141.54 85.65 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.852 2.368 . . . . 0.0 112.484 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.444 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.6 m-90 -106.1 136.64 45.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.404 -0.81 . . . . 0.0 108.913 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 40.5 p30 -155.21 172.54 18.0 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 120.963 -1.086 . . . . 0.0 110.401 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.53 HG12 ' NH1' ' A' ' 119' ' ' ARG . 72.5 t -55.55 -39.27 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.0 ttp -56.44 -42.24 77.8 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.901 -1.124 . . . . 0.0 108.423 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.9 tp -62.2 -35.37 78.66 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.37 -0.831 . . . . 0.0 109.036 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.483 ' HE3' HD21 ' B' ' 178' ' ' LEU . 81.4 tttt -57.2 -47.17 81.95 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.473 -0.767 . . . . 0.0 109.867 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.53 ' NH1' HG12 ' A' ' 115' ' ' VAL . 75.7 mtt85 -67.81 -39.04 84.0 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.437 -0.789 . . . . 0.0 109.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -60.76 -40.27 91.89 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.308 -0.87 . . . . 0.0 109.982 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.89 -41.04 99.28 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.158 -0.964 . . . . 0.0 109.22 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.863 ' NE1' HD21 ' A' ' 158' ' ' LEU . 48.4 m95 -64.18 -37.72 88.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.285 -0.884 . . . . 0.0 109.287 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -42.11 98.18 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.4 -0.812 . . . . 0.0 109.899 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.37 -39.63 93.8 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.295 -0.878 . . . . 0.0 109.69 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.56 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -57.94 -42.16 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -40.88 97.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.114 -0.991 . . . . 0.0 110.091 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.86 -40.0 93.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.87 . . . . 0.0 110.41 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.732 ' HB3' HD11 ' A' ' 151' ' ' ILE . 29.3 m-85 -65.25 -42.58 93.16 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.008 -1.057 . . . . 0.0 110.329 -179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -64.42 -31.9 73.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.063 -1.023 . . . . 0.0 109.755 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.1 OUTLIER -69.13 -41.99 76.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.252 -0.905 . . . . 0.0 109.749 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.577 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.4 mt -59.28 -42.64 87.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 110.243 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 147' ' ' LEU . 82.3 mt -68.46 -45.42 72.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.055 -1.028 . . . . 0.0 110.134 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.571 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.2 t60 -68.23 -41.9 80.54 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.358 -0.839 . . . . 0.0 110.921 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 134' ' ' LEU . 81.9 mt -61.12 -31.58 71.28 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.218 -0.926 . . . . 0.0 111.453 -178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -143.33 59.3 1.4 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.69 -1.256 . . . . 0.0 111.266 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -62.19 -38.69 90.08 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.904 -1.122 . . . . 0.0 109.157 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.66 -28.7 68.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.115 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.693 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 12.8 t30 -91.82 -0.81 57.54 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.77 -1.206 . . . . 0.0 110.387 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 73.6 mt -118.13 127.31 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.255 -0.903 . . . . 0.0 109.135 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.2 m -70.6 160.02 33.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.28 -0.888 . . . . 0.0 109.502 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.45 -38.72 92.02 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.252 -0.905 . . . . 0.0 109.36 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.7 m -64.97 -44.91 87.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -38.72 92.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.386 -0.821 . . . . 0.0 109.42 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.785 HG23 HD22 ' A' ' 132' ' ' LEU . 46.3 m -61.64 -39.46 91.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.796 . . . . 0.0 109.412 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -57.95 -40.62 80.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.348 -0.845 . . . . 0.0 109.953 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.8 m -61.43 -40.52 94.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.186 -0.946 . . . . 0.0 109.415 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.864 HD12 HD21 ' A' ' 132' ' ' LEU . 85.0 mt -64.99 -40.89 95.63 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.297 -0.877 . . . . 0.0 109.585 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.68 -36.67 79.32 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.436 -0.79 . . . . 0.0 109.453 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.51 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 17.8 tttp -61.91 -40.54 95.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 108.987 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.66 -42.34 98.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.296 -0.877 . . . . 0.0 109.115 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 128' ' ' PHE . 71.4 mt -66.32 -42.01 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.9 mmtt -61.07 -38.82 87.56 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.612 -0.68 . . . . 0.0 109.964 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.814 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.5 t80 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.294 -0.879 . . . . 0.0 108.909 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.98 -40.37 91.17 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.837 . . . . 0.0 108.753 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -58.92 -43.79 91.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.483 -0.761 . . . . 0.0 109.668 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.64 -50.16 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.277 -0.89 . . . . 0.0 110.641 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.832 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.68 -36.55 82.79 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 110.477 -179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.863 HD21 ' NE1' ' A' ' 122' ' ' TRP . 33.3 tp -60.05 -37.35 79.57 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.9 m -66.06 -41.72 90.41 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -59.41 -38.05 79.62 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.307 -0.871 . . . . 0.0 109.42 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 158' ' ' LEU . 16.5 mt -60.33 -35.21 75.11 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.716 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -64.01 -30.56 71.63 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.507 -0.746 . . . . 0.0 109.443 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.518 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 52.9 mttm -81.29 -13.13 58.77 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.17 -0.956 . . . . 0.0 109.245 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 12.47 80.9 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.73 -1.748 . . . . 0.0 108.73 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.75 -28.97 60.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.438 -1.036 . . . . 0.0 109.909 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.31 130.99 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 109.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.576 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.569 ' C ' ' H ' ' B' ' 130' ' ' ILE . 73.0 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.532 ' N ' HG22 ' B' ' 128' ' ' ILE . 21.7 m120 -74.94 20.1 0.13 Allowed 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.775 HD12 HG22 ' A' ' 78' ' ' VAL . 20.1 tt -66.36 -42.84 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.563 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -70.65 -42.29 71.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.344 -0.943 . . . . 0.0 108.711 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -67.25 -44.16 80.1 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 121.681 0.753 . . . . 0.0 109.084 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.3 -46.74 82.27 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.779 0.799 . . . . 0.0 109.556 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.561 ' OE1' HG21 ' A' ' 22' ' ' ILE . 1.2 tp-100 -63.2 -38.6 91.82 Favored 'General case' 0 C--N 1.296 -1.739 0 C-N-CA 120.291 -0.564 . . . . 0.0 109.667 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' B' ' 136' ' ' MET . 60.9 t0 -174.63 -125.17 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.352 -0.842 . . . . 0.0 109.645 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.57 ' O ' ' CB ' ' B' ' 137' ' ' GLN . 64.7 mtt -120.79 174.52 6.55 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.509 -0.744 . . . . 0.0 109.388 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.57 ' CB ' ' O ' ' B' ' 136' ' ' MET . 16.2 tp60 83.83 117.59 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.691 -0.63 . . . . 0.0 109.479 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.482 ' O ' ' OD2' ' B' ' 131' ' ' ASP . 91.2 m-20 -59.85 -38.58 82.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.32 -0.862 . . . . 0.0 110.618 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -118.37 138.87 52.13 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.201 -0.937 . . . . 0.0 110.492 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 36.1 mtp -64.59 -40.29 95.25 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.92 0.866 . . . . 0.0 109.736 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.19 -33.64 69.48 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.216 -0.927 . . . . 0.0 108.959 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.59 -36.43 76.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.162 -0.961 . . . . 0.0 108.535 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 68.6 mt -57.24 -33.24 67.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.58 -30.06 47.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 C-N-CA 119.139 -1.025 . . . . 0.0 108.338 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.36 -38.13 73.68 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -59.37 -35.86 74.69 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.26 -33.34 84.02 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.93 -38.8 70.77 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.896 -1.355 . . . . 0.0 107.869 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.555 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 79.8 tt0 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.963 HD11 HD12 ' A' ' 105' ' ' LEU . 46.1 tp -55.55 -42.34 74.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.224 -0.922 . . . . 0.0 108.764 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.65 -40.62 92.68 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.56 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.3 tm-20 -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.646 -0.659 . . . . 0.0 109.522 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 41.2 t -64.67 -50.44 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.276 -0.89 . . . . 0.0 110.45 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.814 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.77 -33.09 74.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.114 -0.991 . . . . 0.0 109.147 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.61 95.74 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.379 -0.826 . . . . 0.0 109.513 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.632 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 89.0 mtp -64.33 -40.06 95.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.093 -1.005 . . . . 0.0 109.47 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.453 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -61.12 -39.12 88.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.861 . . . . 0.0 109.336 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.6 m-20 171.67 105.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.496 -0.752 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.15 -35.83 72.1 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.014 -1.054 . . . . 0.0 108.772 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.3 m -85.59 4.86 34.24 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.72 97.98 0.06 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.51 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -120.56 153.01 37.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.587 -0.949 . . . . 0.0 109.13 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.658 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.8 mp -55.63 -34.01 64.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.278 -0.889 . . . . 0.0 109.246 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.35 -33.7 71.48 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -75.53 -24.15 56.74 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.525 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.5 mt -102.23 132.88 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.248 -0.908 . . . . 0.0 108.621 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 77.1 p -59.54 68.66 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.457 -0.777 . . . . 0.0 110.476 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 51.8 t0 -62.23 -36.6 82.48 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.83 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.26 75.8 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.973 -1.079 . . . . 0.0 111.745 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -42.64 67.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.667 -1.271 . . . . 0.0 109.699 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.477 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.9 mt -62.7 -38.35 90.07 Favored 'General case' 0 C--N 1.294 -1.806 0 O-C-N 121.756 -0.59 . . . . 0.0 110.363 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 86.1 m-20 -61.49 -43.13 99.41 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.25 -0.906 . . . . 0.0 110.509 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.81 82.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.103 -0.998 . . . . 0.0 109.851 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.518 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.62 -36.97 85.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.235 -0.916 . . . . 0.0 110.228 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.534 HD11 HD23 ' A' ' 158' ' ' LEU . 19.8 tp -67.39 -35.46 79.35 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.002 -1.061 . . . . 0.0 110.597 -179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.484 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.9 m-20 -61.8 -39.0 90.19 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.976 -1.077 . . . . 0.0 108.918 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.48 -43.07 67.26 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.001 -1.062 . . . . 0.0 108.186 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.716 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -63.91 -37.79 88.71 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.544 -0.722 . . . . 0.0 109.612 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.24 -39.78 73.1 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.038 -1.039 . . . . 0.0 108.686 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.577 -0.702 . . . . 0.0 109.11 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.17 -41.9 97.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.409 ' OD2' ' CE ' ' A' ' 118' ' ' LYS . 81.0 m-20 -93.36 -32.95 14.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.106 -0.996 . . . . 0.0 110.633 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -79.34 170.94 15.87 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.145 -0.972 . . . . 0.0 109.448 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.1 m -109.28 123.75 49.78 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.435 -0.791 . . . . 0.0 109.377 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.464 ' N ' HD12 ' B' ' 185' ' ' LEU . 5.7 mp -91.51 141.64 26.12 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 C--N 1.311 -1.403 0 C-N-CA 122.244 1.963 . . . . 0.0 112.251 -179.783 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.52 -35.79 78.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 m -60.39 -36.26 77.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.386 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.474 ' ND2' ' N ' ' A' ' 1' ' ' MET . 87.3 m-20 -60.5 -36.84 79.31 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.327 -0.858 . . . . 0.0 109.431 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.85 93.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.261 -0.899 . . . . 0.0 109.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.76 96.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.149 -0.969 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -59.64 -43.01 94.01 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.324 -0.86 . . . . 0.0 109.246 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 53.9 t -61.3 -43.32 96.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.37 -46.06 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.266 -0.896 . . . . 0.0 109.582 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.14 91.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.336 -0.852 . . . . 0.0 109.302 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.2 m -62.03 -38.64 89.44 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.0 109.465 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.03 91.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.2 -0.937 . . . . 0.0 109.553 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -31.15 70.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.181 -0.949 . . . . 0.0 109.267 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.98 -42.97 99.37 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.228 -0.92 . . . . 0.0 109.363 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' HG21 ' A' ' 23' ' ' ILE . 81.3 m-85 -64.42 -37.42 87.47 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.388 -0.82 . . . . 0.0 109.727 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.85 -42.14 97.25 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.059 -1.026 . . . . 0.0 108.725 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -60.83 -30.99 70.43 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.55 -12.08 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.527 -0.733 . . . . 0.0 109.824 -179.539 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.41 5.06 63.76 Favored Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.974 -1.108 . . . . 0.0 110.457 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' H ' HG12 ' A' ' 18' ' ' VAL . 76.7 mt -95.98 69.69 2.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.98 -1.306 . . . . 0.0 109.39 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.46 -33.73 87.25 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.742 HD11 ' CE ' ' A' ' 79' ' ' MET . 80.8 mt -57.63 -43.21 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.025 -1.28 . . . . 0.0 109.985 -179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.753 HG21 ' CE1' ' A' ' 15' ' ' PHE . 35.3 mm -66.42 -47.75 82.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 120.941 -1.099 . . . . 0.0 108.727 179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.91 -32.68 80.66 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.688 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 77.9 t80 -58.85 -48.69 80.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.322 -1.105 . . . . 0.0 109.955 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 41.6 m-85 -67.31 -36.56 81.74 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.17 -0.956 . . . . 0.0 110.271 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.8 -41.6 99.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.04 . . . . 0.0 109.881 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.2 -39.99 94.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 108.919 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.1 tp -65.17 -40.88 94.91 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.425 -0.797 . . . . 0.0 109.231 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.72 ' CE1' HD11 ' A' ' 34' ' ' LEU . 17.7 t80 -65.08 -42.34 94.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -63.79 -36.14 82.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.062 -1.024 . . . . 0.0 109.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.7 -46.34 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.234 -0.916 . . . . 0.0 110.277 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.1 -31.89 73.14 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.293 -0.88 . . . . 0.0 110.089 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -60.88 -45.57 94.05 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.975 . . . . 0.0 109.548 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.39 -46.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.319 -0.863 . . . . 0.0 109.375 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.59 -36.43 83.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.46 -0.775 . . . . 0.0 109.694 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.2 p -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -88.2 122.59 31.93 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.451 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -66.09 -37.46 85.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.887 . . . . 0.0 109.677 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -86.45 125.89 34.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -0.9 . . . . 0.0 109.986 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -134.56 142.74 47.06 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.379 -0.826 . . . . 0.0 109.589 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.468 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.9 m -114.15 159.83 19.64 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -52.95 -34.68 56.79 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.85 -1.156 . . . . 0.0 108.425 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.29 -44.97 67.26 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.349 -0.844 . . . . 0.0 109.806 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.468 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.5 mtp -69.55 -40.85 76.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.998 -1.063 . . . . 0.0 109.95 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 m -62.47 -43.51 98.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.352 -0.843 . . . . 0.0 109.589 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.24 81.91 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.326 -0.859 . . . . 0.0 109.773 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -62.59 -41.12 98.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.319 -0.863 . . . . 0.0 109.652 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.65 87.12 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.244 -0.91 . . . . 0.0 109.5 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.4 -45.87 92.02 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 110.419 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.45 -37.93 76.45 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.223 -0.923 . . . . 0.0 109.673 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.28 -37.22 86.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.23 -0.919 . . . . 0.0 110.012 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.6 mt -58.66 -39.37 80.43 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 109.27 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.89 -42.35 98.97 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.325 -0.859 . . . . 0.0 109.358 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 54.6 m -64.19 -42.84 96.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.367 -0.833 . . . . 0.0 109.928 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.44 -51.35 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 109.488 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.71 -37.86 85.55 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.266 -0.896 . . . . 0.0 109.626 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.76 87.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.197 -0.94 . . . . 0.0 109.216 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.688 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 63.2 t80 -68.61 -48.88 62.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.439 -0.788 . . . . 0.0 109.718 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 64' ' ' GLY . 51.5 tttt -63.32 -39.18 93.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.816 . . . . 0.0 109.355 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -62.92 -34.03 76.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.231 -0.918 . . . . 0.0 108.576 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.21 -31.53 69.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.478 -0.764 . . . . 0.0 109.253 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.686 ' O ' HG22 ' A' ' 63' ' ' ILE . 75.4 mt -123.82 10.39 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.573 -0.705 . . . . 0.0 109.833 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.56 -37.73 61.53 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.13 65.6 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.41 -38.57 77.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.064 -1.257 . . . . 0.0 109.06 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.39 -29.36 1.39 Allowed 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.36 -30.74 71.82 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.02 81.87 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.422 -0.799 . . . . 0.0 109.383 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.02 -43.36 86.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.078 -1.014 . . . . 0.0 108.554 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.64 -39.41 93.65 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.7 t -160.88 97.66 1.17 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.3 p30 -96.26 7.07 47.38 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.232 -0.918 . . . . 0.0 109.598 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -95.94 -75.73 0.52 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.253 -0.904 . . . . 0.0 110.009 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -67.14 -39.48 86.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.426 -0.796 . . . . 0.0 111.365 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.405 HD11 HG23 ' A' ' 63' ' ' ILE . 34.3 tp -69.76 -35.44 74.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.508 -1.37 . . . . 0.0 109.881 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.592 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.2 t60 -60.18 -45.26 93.74 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.096 -1.002 . . . . 0.0 109.596 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.1 -42.14 95.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.064 -1.022 . . . . 0.0 108.274 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.742 ' CE ' HD11 ' A' ' 22' ' ' ILE . 7.8 ttt -58.83 -36.47 74.58 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.49 -32.71 71.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 178.677 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.8 m -56.84 -37.66 71.57 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.1 mt -60.33 -41.22 93.1 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.555 -0.716 . . . . 0.0 109.647 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.509 HG23 ' CE2' ' A' ' 25' ' ' TYR . 86.8 mt -85.34 -45.34 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.272 -0.893 . . . . 0.0 111.412 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 88.2 m-70 -73.55 -46.98 44.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.922 . . . . 0.0 111.164 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -81.37 100.52 9.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.937 -1.102 . . . . 0.0 109.444 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.45 -37.25 86.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.416 -0.803 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.87 -47.11 84.77 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.13 -0.981 . . . . 0.0 110.253 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 60.9 tttm -64.96 -41.91 95.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.06 -1.025 . . . . 0.0 109.384 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.87 -37.84 88.48 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.289 -0.882 . . . . 0.0 108.918 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.49 -45.58 69.69 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.446 -0.784 . . . . 0.0 109.659 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.87 -47.25 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.151 -0.968 . . . . 0.0 109.963 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -63.86 -43.57 95.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.151 -0.968 . . . . 0.0 109.279 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.79 -42.7 99.82 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.281 -0.887 . . . . 0.0 108.635 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.41 -41.47 96.61 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' O ' ' OG ' ' A' ' 99' ' ' SER . 3.2 m120 -62.74 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.351 -0.843 . . . . 0.0 109.415 179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -65.56 -49.58 68.32 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 119.631 -0.828 . . . . 0.0 108.955 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.552 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.8 m -63.12 -45.13 93.43 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.37 -0.831 . . . . 0.0 109.175 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.9 mmm -63.5 -40.07 96.09 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.323 -0.861 . . . . 0.0 109.477 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 24.7 m -63.0 -46.09 89.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 109.263 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 tp -64.81 -45.8 84.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.272 -0.893 . . . . 0.0 108.878 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.807 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 34.5 t80 -62.0 -39.99 94.13 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.615 -0.678 . . . . 0.0 109.793 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' B' ' 146' ' ' GLN . 50.0 t-20 -59.43 -38.06 79.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.463 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.13 -39.51 93.14 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.334 -0.854 . . . . 0.0 109.695 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.453 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.1 mmtt -63.48 -45.72 89.48 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.807 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 48.5 mt -67.75 -36.64 80.9 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.558 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 13.4 tttt -60.79 -46.37 90.76 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.554 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.0 mt-30 -64.56 -36.97 85.93 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.853 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.9 tp -59.43 -32.18 69.97 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.658 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 18.3 tttt -58.84 -39.86 82.52 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.765 -0.584 . . . . 0.0 109.976 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.9 m-20 -169.24 -22.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.22 -0.925 . . . . 0.0 110.508 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.77 157.7 3.11 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.29 140.85 79.42 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.888 2.392 . . . . 0.0 112.664 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.439 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.2 m-90 -106.35 137.71 43.83 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.51 172.44 17.16 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.99 -1.069 . . . . 0.0 110.413 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.6 t -55.46 -39.18 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.683 -0.636 . . . . 0.0 109.305 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.3 ttm -56.3 -42.61 77.85 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.993 -1.067 . . . . 0.0 108.769 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.554 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.5 tp -62.32 -37.19 84.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.242 -0.911 . . . . 0.0 108.883 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' HG3' HD11 ' A' ' 158' ' ' LEU . 84.6 tttt -58.88 -47.7 84.01 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.466 -0.771 . . . . 0.0 109.976 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -67.61 -39.01 84.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.469 -0.77 . . . . 0.0 109.611 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 7.0 m -61.71 -39.23 90.78 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.365 -0.835 . . . . 0.0 109.79 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 104' ' ' LYS . 83.1 mt -61.85 -41.98 98.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.112 -0.992 . . . . 0.0 109.347 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.852 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.0 m95 -62.08 -37.89 86.73 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 108.998 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -40.83 92.28 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.434 -0.791 . . . . 0.0 109.248 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.84 -40.07 94.03 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.446 -0.784 . . . . 0.0 109.65 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.599 HG23 HG23 ' A' ' 151' ' ' ILE . 95.4 mt -58.34 -42.52 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.26 -40.88 97.66 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 110.204 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.88 -40.83 94.53 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.297 -0.877 . . . . 0.0 110.433 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.747 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -64.22 -44.83 90.69 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.085 -1.009 . . . . 0.0 110.165 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.36 -36.31 81.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 0.0 109.955 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.528 ' SG ' ' N ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -66.09 -42.97 88.59 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.218 -0.926 . . . . 0.0 109.87 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.552 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.4 mt -59.4 -43.14 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.124 -0.985 . . . . 0.0 110.204 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.891 HD21 HD12 ' A' ' 147' ' ' LEU . 94.0 mt -68.84 -45.26 71.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.114 -0.991 . . . . 0.0 110.261 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -66.27 -46.32 77.46 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 110.698 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 134' ' ' LEU . 95.4 mt -60.91 -31.5 71.0 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.282 -0.886 . . . . 0.0 111.635 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -137.29 55.47 1.81 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.813 -1.18 . . . . 0.0 111.269 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -62.22 -38.08 87.81 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.9 -1.125 . . . . 0.0 109.313 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.14 -28.89 67.7 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 111.451 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.42 HD22 ' HE2' ' A' ' 90' ' ' LYS . 12.8 t30 -91.89 0.78 57.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.731 -1.231 . . . . 0.0 110.515 -178.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.415 HD13 HD23 ' A' ' 132' ' ' LEU . 77.8 mt -117.98 126.75 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.356 -0.84 . . . . 0.0 109.253 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -70.85 160.09 33.41 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.381 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.08 -38.65 91.85 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.176 -0.953 . . . . 0.0 109.424 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.1 m -65.39 -45.29 84.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.0 109.454 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -62.98 -39.24 94.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.393 -0.817 . . . . 0.0 109.339 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.761 HG23 HD22 ' A' ' 132' ' ' LEU . 47.2 m -61.3 -39.74 91.57 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.398 -0.814 . . . . 0.0 109.541 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -57.84 -39.43 77.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.715 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 m -61.94 -41.04 97.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.188 -0.945 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.891 HD12 HD21 ' A' ' 132' ' ' LEU . 82.4 mt -65.88 -40.84 91.96 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.421 -0.8 . . . . 0.0 109.658 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.65 -36.53 78.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.386 -0.821 . . . . 0.0 109.556 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -61.72 -40.45 95.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.134 -0.979 . . . . 0.0 109.007 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.558 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 94.8 mtt-85 -61.23 -42.33 98.42 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.249 -0.907 . . . . 0.0 108.963 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.747 HD11 ' HB3' ' A' ' 128' ' ' PHE . 85.2 mt -66.02 -43.04 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.426 -0.796 . . . . 0.0 108.881 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.6 mmtt -61.06 -40.53 93.99 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.569 -0.707 . . . . 0.0 109.664 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.745 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 33.3 t80 -57.73 -43.45 85.33 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 1.9 m -64.63 -42.4 95.5 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -58.89 -43.9 91.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.476 -0.765 . . . . 0.0 109.757 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 84.2 mt -69.48 -50.12 53.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 110.619 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.853 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -66.96 -36.33 81.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.16 -0.963 . . . . 0.0 110.614 -179.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.852 HD21 ' NE1' ' A' ' 122' ' ' TRP . 32.7 tp -60.01 -37.05 78.6 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.5 m -66.03 -41.37 91.02 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.547 -0.72 . . . . 0.0 109.914 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.5 -38.55 81.22 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.311 -0.868 . . . . 0.0 109.552 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.1 mt -59.92 -34.76 73.64 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.063 -1.023 . . . . 0.0 108.272 179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.714 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.92 -30.94 71.98 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.527 -0.733 . . . . 0.0 109.564 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.533 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 53.5 mttm -81.54 -13.42 58.11 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 121.164 -0.96 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.25 12.4 80.77 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.58 -29.2 61.24 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.431 -1.041 . . . . 0.0 109.875 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.5 mm -102.59 129.88 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.16 -0.962 . . . . 0.0 108.936 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.638 -179.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.588 ' CG1' ' H ' ' B' ' 129' ' ' ASN . 1.3 pt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.588 ' H ' ' CG1' ' B' ' 128' ' ' ILE . 22.7 m120 -74.91 19.78 0.14 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 20.7 tt -64.81 -39.55 86.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.498 ' N ' HG23 ' B' ' 130' ' ' ILE . 92.4 m-20 -72.98 -45.41 58.1 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 119.62 -0.832 . . . . 0.0 109.508 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' B' ' 138' ' ' ASP . 0.7 OUTLIER -68.4 -40.52 81.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 109.904 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 4.6 tt -59.03 -47.93 83.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.45 -0.781 . . . . 0.0 110.593 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -68.58 -37.43 79.85 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.677 -0.639 . . . . 0.0 110.404 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' B' ' 135' ' ' ASP . 52.8 p30 -163.15 161.04 24.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.926 -1.109 . . . . 0.0 109.939 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.0 mtt -60.82 -32.97 72.32 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.353 -0.842 . . . . 0.0 109.71 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.471 ' CD ' ' CD2' ' B' ' 143' ' ' LEU . 53.6 mt-30 -60.62 145.09 50.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.302 -0.874 . . . . 0.0 109.587 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' B' ' 132' ' ' LYS . 86.6 m-20 -104.45 157.83 16.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.344 -0.847 . . . . 0.0 109.942 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 138' ' ' ASP . 96.1 mt-10 55.7 115.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.472 -0.768 . . . . 0.0 110.253 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.76 -36.44 78.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.414 -0.804 . . . . 0.0 109.319 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.584 HD13 HD12 ' B' ' 144' ' ' ILE . 4.0 mm? -57.01 -33.92 67.64 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.291 -0.881 . . . . 0.0 108.985 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -59.25 -38.32 79.75 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.276 -0.89 . . . . 0.0 108.908 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.471 ' CD2' ' CD ' ' B' ' 137' ' ' GLN . 65.2 mt -59.01 -34.08 71.46 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.262 -0.899 . . . . 0.0 108.582 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.584 HD12 HD13 ' B' ' 141' ' ' LEU . 51.7 mt -68.03 -31.01 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.87 -37.92 69.46 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . 0.469 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 7.1 tt0 -59.12 -36.37 75.07 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.04 -1.466 . . . . 0.0 107.04 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.61 -32.27 80.8 Favored Glycine 0 N--CA 1.485 1.934 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -55.88 -39.13 71.11 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.79 -1.418 . . . . 0.0 107.922 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.558 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.5 tt0 -61.7 -34.38 75.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.465 -0.772 . . . . 0.0 108.987 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.715 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.3 tt -55.06 -45.1 75.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.332 -0.855 . . . . 0.0 108.789 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -61.96 -39.78 93.3 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 109.306 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.542 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 1.8 tm-20 -61.65 -38.91 89.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.494 -0.754 . . . . 0.0 109.922 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.467 HG13 ' HB2' ' A' ' 109' ' ' LYS . 34.6 t -64.03 -50.73 75.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.298 -0.876 . . . . 0.0 110.366 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.745 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 2.4 mm? -67.29 -33.81 76.07 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.094 -1.004 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.483 ' O ' ' OD1' ' B' ' 159' ' ' ASN . . . -63.07 -43.23 99.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.249 -0.907 . . . . 0.0 109.493 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.658 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 59.3 mtt -69.12 -38.46 78.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 109.682 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -60.67 -40.08 90.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.338 -0.851 . . . . 0.0 109.446 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.634 ' N ' HD22 ' B' ' 158' ' ' ASN . 0.0 OUTLIER 173.54 103.48 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.472 -0.767 . . . . 0.0 109.257 179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.483 ' OD1' ' O ' ' B' ' 155' ' ' ALA . 86.8 m-20 -58.35 -35.77 72.45 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.22 -0.925 . . . . 0.0 109.11 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.9 p -83.06 2.82 33.2 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.96 0.06 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -122.46 152.63 40.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.519 -0.989 . . . . 0.0 109.205 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -56.24 -34.41 66.33 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -0.917 . . . . 0.0 109.444 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.47 -33.78 71.73 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.288 -0.883 . . . . 0.0 109.442 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -75.59 -23.41 56.47 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.319 -0.863 . . . . 0.0 109.603 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 36.3 mt -102.39 131.97 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.279 -0.888 . . . . 0.0 108.751 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 74.6 m -58.93 70.47 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.425 -0.797 . . . . 0.0 110.407 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.2 t0 -63.13 -36.73 84.59 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.148 -0.97 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.75 -49.18 76.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.991 -1.068 . . . . 0.0 111.849 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -42.76 67.71 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.729 -1.232 . . . . 0.0 109.723 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.473 HD21 ' HE3' ' A' ' 163' ' ' LYS . 96.0 mt -62.79 -38.37 90.4 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.64 -0.663 . . . . 0.0 110.344 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.5 m-20 -61.38 -43.01 99.61 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.154 -0.966 . . . . 0.0 110.544 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.26 -41.89 80.42 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.019 -1.05 . . . . 0.0 109.891 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.533 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.2 mt-10 -65.42 -36.59 84.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.352 -0.843 . . . . 0.0 110.29 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.522 HD11 HD23 ' A' ' 158' ' ' LEU . 19.4 tp -67.34 -35.1 78.7 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 119.055 -1.058 . . . . 0.0 110.637 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.592 ' O ' ' NE2' ' B' ' 180' ' ' GLN . 30.7 m-20 -62.04 -40.49 95.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.916 -1.115 . . . . 0.0 108.983 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -70.27 -43.04 71.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.948 -1.095 . . . . 0.0 108.171 178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.714 HD22 ' HB2' ' A' ' 162' ' ' ALA . 18.0 tp -64.5 -36.46 84.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.481 -0.762 . . . . 0.0 109.598 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.449 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.86 -40.14 69.38 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.924 -1.11 . . . . 0.0 108.729 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . 0.82 ' H ' HE21 ' B' ' 180' ' ' GLN . 0.0 OUTLIER -65.19 -28.11 69.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.414 -0.803 . . . . 0.0 109.283 179.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.19 -53.5 56.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.178 -0.951 . . . . 0.0 110.532 -179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -76.84 -40.15 48.78 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.093 -1.004 . . . . 0.0 110.207 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.22 173.84 6.24 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.476 -0.765 . . . . 0.0 109.083 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.497 ' C ' HD23 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -108.3 128.93 55.18 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.369 -0.832 . . . . 0.0 109.483 -179.541 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.791 HD23 ' N ' ' B' ' 185' ' ' LEU . 0.1 OUTLIER -90.54 145.15 31.79 Favored Pre-proline 0 C--N 1.3 -1.583 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.171 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo . . . . . 0 C--N 1.304 -1.788 0 C-N-CA 122.581 2.187 . . . . 0.0 112.255 -179.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.83 82.28 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.474 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.78 -38.41 85.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.0 t-20 -60.55 -36.76 79.25 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.353 -0.842 . . . . 0.0 109.354 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.624 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -60.76 -39.35 88.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.0 109.608 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.74 -46.1 83.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.213 -0.93 . . . . 0.0 110.061 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 122' ' ' TRP . 41.5 ttt180 -59.92 -39.66 86.2 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.141 -0.974 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 4' ' ' ASN . 94.9 t -60.31 -39.67 81.57 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.6 t -60.95 -45.51 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.247 -0.908 . . . . 0.0 108.995 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.8 -41.79 82.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.377 -0.827 . . . . 0.0 108.867 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -61.25 -38.73 87.73 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.417 -0.802 . . . . 0.0 108.983 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.9 83.94 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.225 -0.922 . . . . 0.0 108.693 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -60.88 -32.03 71.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.431 -0.793 . . . . 0.0 109.132 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -60.71 -40.61 92.89 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.361 -0.837 . . . . 0.0 109.39 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.616 ' CE2' HG21 ' A' ' 23' ' ' ILE . 70.0 m-85 -63.73 -39.02 93.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.436 -0.79 . . . . 0.0 109.899 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.12 -40.59 94.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.007 -1.058 . . . . 0.0 108.994 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -61.0 -30.81 70.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.433 -0.792 . . . . 0.0 109.384 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -86.58 -7.52 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.381 -0.825 . . . . 0.0 109.86 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.62 5.3 63.23 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.499 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 20' ' ' LEU . 70.5 mt -99.56 65.3 1.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.019 -1.283 . . . . 0.0 109.449 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -31.07 77.2 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.465 HD11 ' CE ' ' A' ' 79' ' ' MET . 69.5 mt -57.24 -43.05 81.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.018 -1.283 . . . . 0.0 109.641 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.616 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.53 -47.11 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.933 -1.104 . . . . 0.0 108.643 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.9 -33.49 83.68 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.69 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 79.9 t80 -59.16 -48.86 80.07 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -1.051 . . . . 0.0 109.797 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.452 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.0 m-85 -67.3 -35.85 80.3 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.245 -0.909 . . . . 0.0 109.953 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.8 mt -65.09 -41.74 94.7 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.049 . . . . 0.0 110.426 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.45 -39.86 92.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.922 -1.111 . . . . 0.0 108.812 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 29' ' ' LEU . 44.3 tp -64.21 -38.61 91.66 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.775 ' CE1' HD11 ' A' ' 34' ' ' LEU . 55.6 t80 -63.71 -44.12 94.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.668 -0.645 . . . . 0.0 110.13 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.69 88.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.159 -0.963 . . . . 0.0 110.195 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.2 t -61.51 -48.57 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.058 -1.026 . . . . 0.0 110.311 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.586 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.09 -32.42 73.97 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.611 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.775 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.56 -46.2 90.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.903 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.21 -45.93 92.35 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.661 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 36' ' ' LEU . 86.0 mt -63.29 -36.75 84.73 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.365 -0.835 . . . . 0.0 109.699 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.1 p -67.92 -14.52 63.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -89.72 124.23 34.43 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.864 -0.734 . . . . 0.0 109.503 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -35.06 78.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.92 . . . . 0.0 109.937 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -82.87 125.72 31.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.009 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -139.65 141.12 37.06 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.286 -0.884 . . . . 0.0 109.655 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.462 ' H ' ' HB2' ' A' ' 45' ' ' MET . 90.9 p -114.33 162.6 16.41 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -53.59 -35.21 60.6 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.882 -1.136 . . . . 0.0 108.618 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.24 -45.23 66.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.306 -0.871 . . . . 0.0 110.004 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.462 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -69.41 -40.7 77.15 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.006 -1.059 . . . . 0.0 109.887 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.5 m -62.38 -43.1 99.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.34 -0.85 . . . . 0.0 109.496 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.38 74.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.7 tp -62.36 -40.55 96.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.272 -0.893 . . . . 0.0 109.761 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.96 88.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.177 -0.952 . . . . 0.0 109.569 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.3 m -60.8 -45.76 93.15 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.36 -0.837 . . . . 0.0 110.488 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.27 -38.11 73.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 109.783 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 52' ' ' LEU . 95.7 mt -64.59 -37.01 86.11 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.3 mt -58.41 -38.74 78.03 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.927 -1.108 . . . . 0.0 109.332 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -62.19 -43.05 99.69 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.224 -0.922 . . . . 0.0 109.303 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.2 m -65.9 -46.79 77.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.259 -0.901 . . . . 0.0 109.711 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mt -59.45 -48.38 87.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.64 -38.75 92.08 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.038 -1.039 . . . . 0.0 109.112 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.12 -41.57 77.19 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.297 -0.877 . . . . 0.0 108.931 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.69 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.9 t80 -65.53 -48.78 71.33 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.426 -0.796 . . . . 0.0 109.729 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' A' ' 64' ' ' GLY . 63.3 tttt -65.39 -42.33 92.76 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.291 -0.881 . . . . 0.0 109.132 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -63.17 -33.67 75.97 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -58.45 -31.06 67.42 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.679 ' O ' HG22 ' A' ' 63' ' ' ILE . 68.8 mt -122.71 8.95 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.601 -0.687 . . . . 0.0 109.705 -179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.4 -38.18 61.87 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.51 4.37 62.34 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.225 -1.162 . . . . 0.0 110.431 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.69 -37.48 81.77 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.912 -1.346 . . . . 0.0 108.978 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.0 -29.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.65 -29.99 71.04 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.16 81.32 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.437 -0.79 . . . . 0.0 109.259 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.76 -42.79 84.73 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -64.23 -39.37 93.83 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.8 t -161.57 97.49 1.09 Allowed 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.453 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.6 p30 -95.64 4.7 52.82 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.265 -0.897 . . . . 0.0 109.87 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -94.7 -75.32 0.52 Allowed 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.193 -0.942 . . . . 0.0 110.206 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.1 p -67.01 -38.15 85.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.791 . . . . 0.0 111.405 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 63' ' ' ILE . 30.3 tp -68.54 -35.39 77.36 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.606 -1.309 . . . . 0.0 109.89 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.7 m170 -59.79 -45.11 93.31 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.11 -0.993 . . . . 0.0 109.443 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.01 -42.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 108.638 179.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.465 ' CE ' HD11 ' A' ' 22' ' ' ILE . 8.2 ttt -58.74 -36.42 74.3 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.585 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.36 -32.71 71.53 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.7 m -56.79 -37.23 70.84 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 63.7 mt -60.14 -40.7 90.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.39 -0.819 . . . . 0.0 109.565 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' ' 25' ' ' TYR . 77.5 mt -86.22 -45.56 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.156 -0.965 . . . . 0.0 111.004 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.508 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 85.7 m-70 -72.71 -47.97 42.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 111.129 -178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -81.62 101.07 9.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.876 -1.14 . . . . 0.0 109.612 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.53 -35.75 81.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.402 -0.811 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.91 -47.93 82.73 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.153 -0.967 . . . . 0.0 110.532 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.631 ' HZ3' HD13 ' B' ' 130' ' ' ILE . 66.7 tttt -67.53 -42.44 82.73 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.11 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.14 -37.62 87.96 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.26 -46.14 69.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.455 -0.778 . . . . 0.0 109.491 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.472 HG22 ' OD1' ' A' ' 95' ' ' ASN . 74.3 mt -63.0 -43.11 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.282 -0.886 . . . . 0.0 109.428 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 50.9 t80 -62.88 -44.93 94.78 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.247 -0.908 . . . . 0.0 109.26 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 7.9 tpt -64.26 -44.61 91.23 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.226 -0.921 . . . . 0.0 108.673 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.47 -43.58 89.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.472 ' OD1' HG22 ' A' ' 91' ' ' ILE . 3.0 m120 -61.6 -41.79 97.94 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.378 -0.826 . . . . 0.0 109.0 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -66.49 -49.24 67.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 0.0 108.9 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 131' ' ' ILE . 39.8 m -61.73 -43.71 98.32 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.461 -0.775 . . . . 0.0 109.025 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.2 mmm -62.2 -37.81 86.72 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.398 -0.814 . . . . 0.0 109.55 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.1 p -64.66 -44.11 91.46 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -0.916 . . . . 0.0 109.208 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 40.5 tp -67.68 -42.22 82.45 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.582 ' CD2' HD11 ' B' ' 150' ' ' LEU . 41.1 t80 -62.21 -43.31 99.11 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.576 -0.702 . . . . 0.0 109.143 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.41 HD21 ' HB3' ' B' ' 149' ' ' GLU . 56.1 t-20 -63.16 -40.5 97.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.332 -0.855 . . . . 0.0 109.709 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.68 -41.09 98.91 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.305 -0.872 . . . . 0.0 109.782 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.489 ' HZ2' HD12 ' A' ' 117' ' ' LEU . 12.3 mmtt -63.8 -45.45 89.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.156 -0.965 . . . . 0.0 109.951 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.53 HD12 HD21 ' B' ' 150' ' ' LEU . 35.6 mt -67.16 -35.77 80.39 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.222 -0.924 . . . . 0.0 108.736 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -59.57 -45.14 92.73 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.4 mt-30 -63.89 -36.63 84.58 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.844 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.3 tp -60.15 -33.19 71.82 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.592 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 49.7 tttt -59.13 -38.94 80.85 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.628 -0.67 . . . . 0.0 110.32 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -167.57 -22.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.175 -0.953 . . . . 0.0 110.604 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.68 155.85 3.85 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -62.29 141.72 88.68 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.816 2.344 . . . . 0.0 112.377 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.431 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.4 m-90 -105.85 136.05 46.18 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -153.04 173.47 15.4 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 120.952 -1.092 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.36 -39.68 53.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.7 ttm -57.22 -42.58 81.63 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.999 -1.063 . . . . 0.0 108.774 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.571 HD13 ' OE1' ' A' ' 107' ' ' GLN . 45.6 tp -62.37 -37.14 84.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.332 -0.855 . . . . 0.0 109.069 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.577 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.4 tttt -57.35 -47.03 82.68 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.498 -0.751 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -66.73 -39.64 88.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.574 -0.703 . . . . 0.0 109.77 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -58.49 -40.28 82.36 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.531 -0.73 . . . . 0.0 110.356 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.34 -41.86 98.9 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.985 -1.072 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.87 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.7 m95 -62.9 -38.19 89.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.323 -0.861 . . . . 0.0 109.027 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -41.31 93.1 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.491 -0.756 . . . . 0.0 109.617 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.479 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 80.5 m -62.53 -40.36 96.55 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.444 HG23 HG23 ' A' ' 151' ' ' ILE . 96.7 mt -58.69 -42.42 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.333 -0.854 . . . . 0.0 109.932 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.54 -41.06 93.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.149 -0.97 . . . . 0.0 109.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.9 mt -62.87 -40.57 97.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.89 . . . . 0.0 110.166 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 151' ' ' ILE . 18.1 m-85 -64.46 -43.87 92.86 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.067 -1.021 . . . . 0.0 110.183 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 20.4 m -62.22 -36.64 82.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.155 -0.965 . . . . 0.0 110.084 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.572 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -66.12 -40.54 90.78 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.277 -0.889 . . . . 0.0 109.836 -179.711 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.489 HD11 ' OG1' ' A' ' 97' ' ' THR . 97.7 mt -59.38 -43.06 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.141 -0.974 . . . . 0.0 110.388 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 147' ' ' LEU . 86.1 mt -67.57 -45.27 76.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.952 -1.092 . . . . 0.0 110.201 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.586 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 6.2 t60 -67.3 -42.81 83.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 0.0 110.926 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.572 HD12 ' SG ' ' A' ' 130' ' ' CYS . 86.6 mt -62.77 -32.2 73.31 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.285 -0.884 . . . . 0.0 112.021 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -142.32 60.14 1.45 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.635 -178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.84 -38.17 89.71 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.917 -1.115 . . . . 0.0 109.083 178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.87 -27.67 66.88 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.57 -0.706 . . . . 0.0 111.299 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.415 HD22 ' HE2' ' A' ' 90' ' ' LYS . 8.2 t30 -91.55 0.72 57.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.815 -1.178 . . . . 0.0 110.267 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.5 mt -117.79 130.12 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.028 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -70.43 159.87 33.4 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.193 -0.942 . . . . 0.0 109.264 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.2 -38.54 91.41 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.229 -0.919 . . . . 0.0 109.394 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.3 m -66.04 -43.73 86.69 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.296 -0.878 . . . . 0.0 109.405 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.0 t -62.12 -39.05 91.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.366 -0.834 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.623 HG23 HD22 ' A' ' 132' ' ' LEU . 56.0 m -60.58 -41.23 94.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.526 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -59.6 -40.79 88.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.819 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.0 m -61.79 -40.54 95.59 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.256 -0.902 . . . . 0.0 109.536 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.79 HD12 HD21 ' A' ' 132' ' ' LEU . 87.5 mt -63.59 -40.89 98.1 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.356 -0.84 . . . . 0.0 109.639 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -60.83 -36.7 79.77 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.45 -0.781 . . . . 0.0 109.476 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.503 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 16.3 tttp -61.98 -42.13 98.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.192 -0.942 . . . . 0.0 109.036 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -62.41 -42.21 99.27 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.219 -0.925 . . . . 0.0 109.034 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.5 mt -65.25 -41.98 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 9.6 mmtt -60.87 -37.85 83.56 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.745 -0.597 . . . . 0.0 109.922 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.76 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -58.07 -43.69 87.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.3 -0.875 . . . . 0.0 109.137 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 4.1 m -65.97 -41.09 91.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.222 -0.924 . . . . 0.0 108.829 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -58.96 -43.97 91.39 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.422 -0.799 . . . . 0.0 109.71 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 85.7 mt -69.51 -50.04 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 110.614 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CD1' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -66.57 -36.46 82.69 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.21 -0.931 . . . . 0.0 110.572 -179.332 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.87 HD21 ' NE1' ' A' ' 122' ' ' TRP . 36.0 tp -60.02 -37.61 80.28 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 108.407 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.457 ' OG ' HD22 ' B' ' 171' ' ' LEU . 80.1 p -67.21 -37.52 83.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.408 -0.807 . . . . 0.0 109.739 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -61.03 -38.75 87.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.915 . . . . 0.0 109.266 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 17.6 mt -60.06 -34.99 74.17 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.748 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.26 -30.99 72.03 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.495 -0.753 . . . . 0.0 109.384 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' B' ' 171' ' ' LEU . 50.5 mttm -81.73 -13.33 57.94 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.177 -0.952 . . . . 0.0 109.195 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.95 12.8 80.64 Favored Glycine 0 N--CA 1.487 2.065 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -74.78 -29.26 61.06 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.582 -0.952 . . . . 0.0 109.976 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.8 mm -102.65 130.6 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.155 -0.966 . . . . 0.0 109.009 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.551 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.795 HG22 ' ND2' ' B' ' 129' ' ' ASN . 79.1 mt . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.795 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.1 m120 -75.54 19.41 0.19 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.631 HD13 ' HZ3' ' A' ' 88' ' ' LYS . 20.3 tt -65.94 -41.03 89.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.5 m-20 -67.97 -41.21 82.73 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.304 -0.959 . . . . 0.0 109.095 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -70.05 -46.11 65.67 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.04 -43.93 94.05 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.429 ' CG ' ' CE1' ' A' ' 92' ' ' TYR . 2.1 tp60 -65.5 -42.04 92.54 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.705 -0.622 . . . . 0.0 109.949 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.496 ' O ' ' O ' ' B' ' 131' ' ' ASP . 48.5 t0 -168.56 166.02 12.15 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.132 -0.98 . . . . 0.0 109.847 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.455 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.9 mtt -61.4 -31.61 71.54 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.291 -0.88 . . . . 0.0 110.145 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.473 ' OE1' ' OD2' ' B' ' 142' ' ' ASP . 99.4 mm-40 -60.54 126.11 26.23 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.053 -1.03 . . . . 0.0 110.089 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.477 ' O ' ' OD2' ' B' ' 131' ' ' ASP . 59.9 t0 -67.54 -37.48 82.79 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.624 -0.673 . . . . 0.0 110.662 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.441 ' HG2' ' H ' ' B' ' 141' ' ' LEU . 84.3 tt0 -112.53 135.93 52.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.241 -0.912 . . . . 0.0 110.488 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 90.7 mtp -63.18 -37.95 89.24 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.445 -0.784 . . . . 0.0 109.296 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.672 HD13 HD12 ' B' ' 144' ' ' ILE . 3.9 mm? -58.94 -33.02 70.11 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . 0.473 ' OD2' ' OE1' ' B' ' 137' ' ' GLN . 54.9 t0 -58.24 -37.06 74.14 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.744 HD13 ' O ' ' B' ' 143' ' ' LEU . 1.1 tm? -61.24 -37.52 83.36 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.672 HD12 HD13 ' B' ' 141' ' ' LEU . 55.3 mt -68.77 -29.77 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.136 -0.978 . . . . 0.0 108.952 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.29 -36.8 73.84 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.54 -36.28 75.84 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -60.68 -33.64 83.24 Favored Glycine 0 N--CA 1.486 1.997 0 N-CA-C 108.094 -2.002 . . . . 0.0 108.094 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -57.06 -37.54 71.96 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.897 -1.355 . . . . 0.0 107.801 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.41 ' HB3' HD21 ' A' ' 102' ' ' ASN . 82.9 tt0 -58.44 -34.69 71.11 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.692 HD23 ' C ' ' B' ' 150' ' ' LEU . 6.2 tt -55.44 -45.17 76.85 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -59.54 -39.7 84.79 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.465 -0.772 . . . . 0.0 109.328 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.541 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 11.7 tm-20 -61.84 -38.74 89.33 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.362 -0.836 . . . . 0.0 109.783 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 23.1 t -65.26 -50.78 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.239 -0.913 . . . . 0.0 110.364 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.3 mm? -66.53 -33.04 74.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.198 -0.939 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.11 98.3 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.33 -0.857 . . . . 0.0 109.459 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.592 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 43.8 mtt -66.55 -38.81 87.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.038 -1.039 . . . . 0.0 109.531 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 20.2 t-20 -60.8 -39.3 88.42 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.255 -0.903 . . . . 0.0 109.24 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 6.0 m-20 170.41 104.01 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.534 -0.729 . . . . 0.0 109.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.34 -35.75 72.38 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.021 -1.05 . . . . 0.0 108.715 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 75.6 m -84.9 4.46 33.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.66 98.2 0.07 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.503 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.0 tp10 -118.24 152.2 36.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.537 -0.978 . . . . 0.0 109.237 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.615 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.2 mp -55.26 -33.12 62.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.16 -0.962 . . . . 0.0 109.165 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.03 -33.0 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.27 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -75.44 -24.73 57.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.327 -0.858 . . . . 0.0 109.515 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.5 mt -103.13 131.51 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.618 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 21.8 t -58.09 72.09 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.451 -0.78 . . . . 0.0 110.504 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.8 t0 -64.36 -36.87 85.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.52 -49.14 74.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.034 -1.041 . . . . 0.0 111.862 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -42.88 67.77 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.71 -1.244 . . . . 0.0 109.723 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.505 HD21 ' HE3' ' A' ' 163' ' ' LYS . 95.3 mt -62.63 -38.7 91.25 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.638 -0.664 . . . . 0.0 110.491 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.4 m-20 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.132 -0.98 . . . . 0.0 110.153 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.65 82.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.173 -0.954 . . . . 0.0 109.793 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.49 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 97.4 mt-10 -66.42 -37.62 85.61 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.319 -0.863 . . . . 0.0 110.249 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.535 HD11 HD23 ' A' ' 158' ' ' LEU . 19.5 tp -67.18 -35.82 80.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.045 -1.035 . . . . 0.0 110.513 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 35.7 m-20 -62.07 -38.81 90.2 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.962 -1.086 . . . . 0.0 108.875 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.05 -41.97 66.83 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 162' ' ' ALA . 16.9 tp -65.55 -38.57 89.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.554 -0.716 . . . . 0.0 109.979 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.552 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.93 -41.28 77.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.034 -1.041 . . . . 0.0 109.389 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.28 -36.62 80.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.257 -0.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.42 -44.95 81.53 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.369 -0.832 . . . . 0.0 110.241 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.577 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 28.5 m-20 -76.26 -36.17 58.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.259 -0.9 . . . . 0.0 110.364 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -78.34 172.35 13.74 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.313 -0.867 . . . . 0.0 109.41 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.434 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.41 118.51 36.83 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.402 -0.811 . . . . 0.0 108.958 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 185' ' ' LEU . 6.7 mp -91.42 140.46 25.49 Favored Pre-proline 0 C--N 1.299 -1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.136 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 N--CA 1.492 1.396 0 C-N-CA 122.2 1.933 . . . . 0.0 112.178 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.5 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.45 77.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.89 . . . . 0.0 109.454 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.28 -35.12 74.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 109.472 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' O ' HG23 ' A' ' 8' ' ' VAL . 48.9 t-20 -60.08 -38.07 81.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.159 -0.963 . . . . 0.0 109.387 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.59 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.28 -39.61 93.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.356 -0.84 . . . . 0.0 109.373 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.78 96.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.154 -0.966 . . . . 0.0 109.74 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 122' ' ' TRP . 50.6 ttt180 -59.71 -42.38 92.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.573 HG11 ' HD2' ' A' ' 30' ' ' TYR . 93.6 t -61.1 -39.98 84.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.02 -47.65 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.185 -0.947 . . . . 0.0 109.186 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.06 81.8 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.0 108.724 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.5 m -61.79 -38.66 88.9 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.94 86.36 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.412 -0.805 . . . . 0.0 109.019 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.37 -32.68 72.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.434 -0.791 . . . . 0.0 109.53 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -60.9 -41.78 96.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 109.626 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -64.13 -39.22 93.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.266 -0.896 . . . . 0.0 109.987 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.18 -39.34 89.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.921 -1.112 . . . . 0.0 109.083 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -61.78 -33.19 73.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.375 -0.828 . . . . 0.0 110.068 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -87.05 0.1 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 110.256 -179.072 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.55 63.47 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -98.63 45.51 1.01 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.971 -1.311 . . . . 0.0 109.095 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.16 -34.24 52.85 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.719 HD11 ' CE ' ' A' ' 79' ' ' MET . 71.0 mt -57.59 -42.87 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.0 -1.294 . . . . 0.0 109.173 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.29 -48.89 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.064 -1.023 . . . . 0.0 108.432 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.93 -32.72 80.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.669 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.9 t80 -58.72 -47.69 83.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.334 -1.098 . . . . 0.0 109.637 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.3 m-85 -67.12 -34.93 78.66 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.226 -0.921 . . . . 0.0 109.622 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.66 -41.0 96.4 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.098 -1.001 . . . . 0.0 109.964 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.483 HE22 HG21 ' A' ' 55' ' ' THR . 96.1 mt-30 -60.51 -39.75 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.001 -1.062 . . . . 0.0 108.793 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.84 -38.8 92.44 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.768 ' CE1' HD11 ' A' ' 34' ' ' LEU . 46.0 t80 -64.68 -43.07 94.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.672 -0.642 . . . . 0.0 110.292 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.16 86.43 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 110.164 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.89 -47.32 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.059 -1.026 . . . . 0.0 110.343 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.33 -32.37 73.95 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.316 -0.865 . . . . 0.0 109.931 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.768 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.6 mp -61.14 -46.3 91.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.141 -0.975 . . . . 0.0 109.725 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.39 -46.02 94.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.276 -0.89 . . . . 0.0 109.366 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.99 -37.08 86.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.399 -0.813 . . . . 0.0 109.678 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.3 p -68.17 -14.09 62.72 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -88.85 123.01 32.83 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.31 -36.89 84.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.886 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -84.76 125.79 32.86 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.252 -0.905 . . . . 0.0 110.025 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -138.32 143.17 39.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.384 -0.822 . . . . 0.0 109.712 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' A' ' 45' ' ' MET . 49.1 m -114.14 158.99 20.56 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -52.93 -34.66 56.36 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.8 -1.187 . . . . 0.0 108.59 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -70.26 -42.33 72.29 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.27 -0.894 . . . . 0.0 109.899 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.9 mtp -70.21 -40.56 74.49 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.979 -1.075 . . . . 0.0 109.772 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -61.56 -42.48 98.9 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.317 -0.864 . . . . 0.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.65 -34.12 76.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.356 -0.84 . . . . 0.0 109.931 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.29 -40.55 96.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.14 -0.975 . . . . 0.0 109.668 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.52 -40.92 89.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 109.43 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.47 -45.66 92.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.444 -0.785 . . . . 0.0 110.395 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.58 -38.29 74.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 56' ' ' ILE . 95.7 mt -64.02 -38.12 89.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.13 -0.981 . . . . 0.0 109.811 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.76 -39.5 81.14 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.061 -1.024 . . . . 0.0 109.235 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.36 -43.58 98.5 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.243 -0.91 . . . . 0.0 109.352 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.483 HG21 HE22 ' A' ' 28' ' ' GLN . 57.0 m -66.94 -46.31 75.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.311 -0.868 . . . . 0.0 109.791 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.4 mt -61.31 -48.56 88.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.577 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.39 -37.98 89.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.107 -0.995 . . . . 0.0 108.95 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.69 76.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.329 -0.857 . . . . 0.0 108.803 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.669 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 60.2 t80 -65.24 -48.73 72.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.443 -0.786 . . . . 0.0 109.458 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 64' ' ' GLY . 62.8 tttt -64.81 -41.19 95.98 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.295 -0.878 . . . . 0.0 109.042 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -63.08 -33.75 76.11 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.21 -30.33 66.39 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 63' ' ' ILE . 64.2 mt -123.96 5.61 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.436 -0.79 . . . . 0.0 110.008 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -48.89 -37.35 21.77 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.09 4.42 63.04 Favored Glycine 0 N--CA 1.49 2.249 0 O-C-N 121.153 -1.204 . . . . 0.0 110.446 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.06 -35.98 80.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.722 -1.458 . . . . 0.0 108.733 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -141.48 -29.67 0.62 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.56 -30.99 71.72 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.56 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.13 -42.12 99.44 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.383 -0.823 . . . . 0.0 109.218 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -46.97 -39.08 11.73 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.165 -0.959 . . . . 0.0 108.72 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.12 -39.31 89.52 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.174 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 3.5 t -133.43 -61.67 0.81 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.451 -0.78 . . . . 0.0 109.647 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ALA . 61.0 t0 61.95 -13.17 0.06 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.671 -0.643 . . . . 0.0 109.959 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 87.6 mttt -94.48 -79.69 0.42 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.965 -1.084 . . . . 0.0 109.001 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.5 p -68.29 -35.56 78.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.407 -0.808 . . . . 0.0 110.29 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 63' ' ' ILE . 41.6 tp -67.92 -37.4 81.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.663 -1.273 . . . . 0.0 109.769 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -60.35 -44.74 95.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.193 -0.942 . . . . 0.0 109.346 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.612 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.88 -43.84 96.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.29 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.719 ' CE ' HD11 ' A' ' 22' ' ' ILE . 10.9 ttt -58.81 -38.54 78.84 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.689 ' ND2' ' NE2' ' A' ' 84' ' ' HIS . 0.3 OUTLIER -60.75 -32.27 71.58 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 ' CG2' ' OD2' ' A' ' 85' ' ' ASP . 15.6 m -57.37 -36.92 71.84 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.619 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -59.44 -40.82 88.03 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.444 HG23 ' CE2' ' A' ' 25' ' ' TYR . 95.9 mt -80.27 -44.59 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.352 -0.843 . . . . 0.0 110.615 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.689 ' NE2' ' ND2' ' A' ' 80' ' ' ASN . 85.9 m-70 -70.05 -51.36 32.69 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.213 -0.929 . . . . 0.0 111.314 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.457 ' OD2' ' CG2' ' A' ' 81' ' ' THR . 83.7 m-20 -77.85 100.24 6.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.968 -1.083 . . . . 0.0 110.348 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.15 -37.26 86.83 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.513 -0.742 . . . . 0.0 109.533 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.11 -47.29 77.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.128 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.534 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 76.0 tttt -65.03 -41.27 95.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.013 -1.054 . . . . 0.0 108.952 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.51 -37.58 87.84 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.69 -46.44 67.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.474 -0.766 . . . . 0.0 109.652 -179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.435 HG22 ' ND2' ' A' ' 95' ' ' ASN . 86.5 mt -60.12 -47.14 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.201 -0.937 . . . . 0.0 109.497 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.472 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 56.2 t80 -63.31 -44.25 95.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 109.269 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.2 tpt -62.68 -43.15 99.55 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.1 tp -64.89 -44.28 90.14 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' B' ' 143' ' ' LEU . 87.5 m-20 -62.99 -41.51 99.59 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.428 -0.795 . . . . 0.0 108.93 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.47 -49.78 67.78 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.346 -0.846 . . . . 0.0 108.95 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.569 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.4 m -63.33 -43.86 96.58 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.411 -0.806 . . . . 0.0 109.098 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 85.4 mmm -62.77 -37.12 85.41 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.315 -0.865 . . . . 0.0 109.735 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.2 p -62.76 -45.27 93.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.237 -0.914 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 42.4 tp -67.45 -41.12 85.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.246 -0.909 . . . . 0.0 108.697 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.814 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 42.5 t80 -61.1 -41.71 97.17 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.283 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.78 -40.4 97.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.311 -0.868 . . . . 0.0 109.902 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.77 -40.22 94.9 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.166 -0.959 . . . . 0.0 109.729 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.583 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 11.7 mmtt -63.38 -45.52 90.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.111 -0.993 . . . . 0.0 109.571 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.814 HD11 ' CZ ' ' A' ' 101' ' ' TYR . 60.4 mt -68.42 -35.27 77.4 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.317 -0.864 . . . . 0.0 108.713 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 28.7 tttp -59.8 -43.95 94.22 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -62.63 -36.8 83.95 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.2 tp -60.33 -32.01 70.84 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.635 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 16.2 tttt -58.83 -41.0 85.87 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.5 -0.75 . . . . 0.0 110.145 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.484 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 34.9 m-20 -170.85 -23.67 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.23 -0.919 . . . . 0.0 110.316 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -49.98 157.54 1.78 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.796 -1.322 . . . . 0.0 109.796 -179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.65 142.16 97.07 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.834 2.356 . . . . 0.0 112.566 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.44 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 5.9 m-90 -105.74 135.05 47.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.432 -0.792 . . . . 0.0 108.868 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -152.07 175.18 12.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.955 -1.091 . . . . 0.0 110.56 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.32 -40.47 57.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -58.14 -38.73 77.11 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.907 -1.121 . . . . 0.0 108.598 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 117' ' ' LEU . 27.6 tp -61.55 -40.19 93.81 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' HG3' HD11 ' A' ' 158' ' ' LEU . 83.5 tttt -62.42 -48.86 77.85 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 121.582 0.706 . . . . 0.0 109.47 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -69.02 -40.46 78.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.532 -0.73 . . . . 0.0 109.697 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.583 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 20.3 t -59.83 -40.01 87.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.353 -0.842 . . . . 0.0 109.711 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.09 -41.34 98.09 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.277 -0.889 . . . . 0.0 109.422 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.857 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.5 m95 -61.17 -37.05 81.52 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.903 . . . . 0.0 109.253 179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -65.33 -42.88 92.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.486 -0.758 . . . . 0.0 109.86 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.547 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 31.0 m -62.19 -39.37 92.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.255 -0.903 . . . . 0.0 109.866 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.532 HG23 HG23 ' A' ' 151' ' ' ILE . 92.7 mt -58.1 -42.18 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.171 -0.956 . . . . 0.0 110.044 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.62 -40.92 96.58 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.13 -0.981 . . . . 0.0 109.804 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.33 -39.14 93.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.342 -0.849 . . . . 0.0 110.272 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.7 ' HB3' HD11 ' A' ' 151' ' ' ILE . 15.7 m-85 -64.58 -43.11 94.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.039 -1.038 . . . . 0.0 110.506 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -65.21 -31.93 73.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.027 -1.046 . . . . 0.0 110.062 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.16 -41.21 77.56 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.131 -0.981 . . . . 0.0 109.801 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.569 HD11 ' OG1' ' A' ' 97' ' ' THR . 99.0 mt -59.38 -43.94 91.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 110.321 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.866 HD21 HD12 ' A' ' 147' ' ' LEU . 87.2 mt -69.67 -45.48 68.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.934 -1.104 . . . . 0.0 110.147 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 133' ' ' HIS . 7.2 t60 -66.99 -45.35 77.87 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.363 -0.836 . . . . 0.0 111.065 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 130' ' ' CYS . 92.3 mt -62.46 -30.62 71.38 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.289 -0.882 . . . . 0.0 111.456 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -138.41 56.48 1.72 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.791 -1.193 . . . . 0.0 111.287 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 132' ' ' LEU . 29.2 mtmm -62.27 -38.56 89.8 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.875 -1.141 . . . . 0.0 109.317 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 54.0 mp0 -67.95 -28.54 67.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.496 -0.753 . . . . 0.0 111.436 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.406 HD22 ' HE2' ' A' ' 90' ' ' LYS . 13.4 t30 -91.93 0.23 57.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.681 -1.262 . . . . 0.0 110.6 -178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 75.8 mt -117.84 126.72 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 109.286 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 160.09 33.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -64.2 -38.26 90.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.418 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 49.9 m -64.79 -45.37 86.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.418 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -63.35 -38.77 92.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.373 -0.83 . . . . 0.0 109.39 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.716 HG23 HD22 ' A' ' 132' ' ' LEU . 45.5 m -61.63 -39.5 91.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.459 -0.775 . . . . 0.0 109.449 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.72 -41.18 81.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.38 -0.825 . . . . 0.0 109.763 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.74 -40.82 96.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.197 -0.939 . . . . 0.0 109.455 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.866 HD12 HD21 ' A' ' 132' ' ' LEU . 84.3 mt -65.83 -41.26 92.03 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.379 -0.825 . . . . 0.0 109.656 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.13 -36.9 80.99 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.364 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -62.15 -40.24 95.31 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.269 -0.894 . . . . 0.0 108.956 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -61.32 -42.14 98.17 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.286 -0.884 . . . . 0.0 109.05 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 128' ' ' PHE . 74.9 mt -66.61 -43.07 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 108.813 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.59 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.1 mmtt -60.83 -40.1 91.52 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.567 -0.708 . . . . 0.0 109.894 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.73 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 32.5 t80 -57.78 -43.5 85.62 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 8.3 m -65.99 -42.17 90.12 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 108.873 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -58.47 -44.01 89.14 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.336 -0.853 . . . . 0.0 109.689 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 82.9 mt -69.63 -50.42 50.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 121.222 -0.924 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.2 m-85 -67.08 -35.69 80.37 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.33 -0.856 . . . . 0.0 110.479 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.857 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.4 tp -59.8 -38.6 82.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.111 -0.993 . . . . 0.0 108.585 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 15.5 t -66.24 -42.66 88.3 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 109.4 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -61.23 -38.29 86.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.573 -0.704 . . . . 0.0 109.632 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 166' ' ' ILE . 21.3 mt -63.72 -42.8 97.87 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.241 -0.912 . . . . 0.0 109.816 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.599 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -71.13 -24.48 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.855 . . . . 0.0 109.793 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.566 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -83.74 -3.67 58.0 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.276 -0.89 . . . . 0.0 109.761 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.61 12.04 84.88 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.01 -29.06 60.75 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.188 -1.184 . . . . 0.0 109.931 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.545 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.2 mm -107.27 134.21 49.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.169 -0.957 . . . . 0.0 109.273 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.563 ' C ' ' H ' ' B' ' 130' ' ' ILE . 74.2 mt . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.519 ' N ' HG22 ' B' ' 128' ' ' ILE . 21.8 m120 -74.69 20.26 0.13 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 78' ' ' VAL . 21.0 tt -65.39 -42.33 93.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.687 -0.856 . . . . 0.0 108.687 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.586 ' N ' HG23 ' B' ' 130' ' ' ILE . 87.1 m-20 -71.33 -42.4 68.62 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.364 -0.934 . . . . 0.0 108.816 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 135' ' ' ASP . 76.5 mttt -66.72 -44.94 80.26 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.693 0.759 . . . . 0.0 109.074 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.4 -46.31 83.84 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-O 121.741 0.782 . . . . 0.0 109.425 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.492 ' O ' ' OD1' ' B' ' 135' ' ' ASP . 0.5 OUTLIER -65.1 -42.19 94.26 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.912 -179.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' B' ' 134' ' ' GLN . 92.5 m-20 -140.38 157.65 45.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.251 -0.906 . . . . 0.0 109.711 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.94 -34.26 74.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.291 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -91.09 145.96 24.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.255 -0.903 . . . . 0.0 109.504 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.45 ' C ' ' OD1' ' B' ' 138' ' ' ASP . 52.4 p30 -85.91 174.56 9.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.36 -0.838 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.469 ' OE1' ' OD2' ' B' ' 142' ' ' ASP . 84.8 tt0 57.32 102.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.554 -0.717 . . . . 0.0 110.302 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.435 ' HB3' HD22 ' A' ' 95' ' ' ASN . 68.7 mtm -62.07 -35.44 78.65 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.366 -0.834 . . . . 0.0 109.77 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . 0.602 HD13 HD12 ' B' ' 144' ' ' ILE . 4.1 mm? -55.98 -35.92 67.29 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.127 -0.983 . . . . 0.0 109.177 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . 0.469 ' OD2' ' OE1' ' B' ' 139' ' ' GLU . 90.4 m-20 -59.52 -36.49 76.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.119 -0.988 . . . . 0.0 108.339 178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.784 HD13 ' O ' ' B' ' 143' ' ' LEU . 2.7 tm? -55.9 -35.45 66.58 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.602 HD12 HD13 ' B' ' 141' ' ' LEU . 66.5 mt -67.52 -29.58 45.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.041 -1.037 . . . . 0.0 108.542 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.8 -38.75 70.37 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.25 -36.42 75.45 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.42 -32.14 79.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 108.131 -1.988 . . . . 0.0 108.131 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -55.93 -39.18 71.31 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.035 -1.273 . . . . 0.0 107.879 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.3 tt0 -59.63 -34.16 72.44 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.698 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.6 tt -54.84 -45.2 74.46 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.02 -41.22 91.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.295 -0.878 . . . . 0.0 108.951 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.562 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.8 tm-20 -61.66 -37.64 84.79 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.709 -0.619 . . . . 0.0 109.695 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.466 ' HA ' ' HZ2' ' A' ' 109' ' ' LYS . 40.5 t -65.06 -50.49 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 110.285 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.73 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 1.9 mm? -66.67 -33.47 75.72 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.109 -0.994 . . . . 0.0 109.281 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.507 ' HB1' HD21 ' B' ' 159' ' ' ASN . . . -60.08 -42.34 94.36 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.371 -0.831 . . . . 0.0 109.41 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.635 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 86.3 mtp -65.79 -38.1 88.1 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.137 -0.977 . . . . 0.0 109.545 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.7 -39.17 87.53 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.252 -0.905 . . . . 0.0 109.551 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 0.6 OUTLIER 164.97 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.416 -0.802 . . . . 0.0 109.255 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.507 HD21 ' HB1' ' B' ' 155' ' ' ALA . 24.6 m120 -58.41 -35.27 71.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.15 -0.969 . . . . 0.0 109.144 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.8 p -82.2 2.25 32.57 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.5 98.25 0.07 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -119.64 153.0 36.2 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.539 -0.977 . . . . 0.0 109.3 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.664 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -56.17 -34.21 65.96 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.212 -0.93 . . . . 0.0 109.445 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -59.37 -33.51 71.26 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.613 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -75.46 -22.4 57.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.585 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.4 mt -102.58 135.02 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.257 -0.902 . . . . 0.0 108.791 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.1 p -60.12 68.59 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.399 -0.813 . . . . 0.0 110.217 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' B' ' 166' ' ' ILE . 56.3 t0 -63.88 -39.11 93.42 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.921 . . . . 0.0 110.839 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.03 -48.89 76.8 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.971 -1.08 . . . . 0.0 111.287 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.53 -43.05 67.14 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.901 -1.124 . . . . 0.0 109.784 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.9 -38.08 89.54 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.561 -0.712 . . . . 0.0 110.265 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.59 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 89.7 m-20 -60.57 -43.35 97.41 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.0 110.476 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.22 81.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.065 -1.022 . . . . 0.0 109.81 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.566 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.4 mt-10 -64.89 -36.72 85.28 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -0.897 . . . . 0.0 110.144 -179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.552 HD11 HD23 ' A' ' 158' ' ' LEU . 21.1 tp -66.36 -35.79 81.23 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.959 -1.088 . . . . 0.0 110.613 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.483 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 26.8 m-20 -61.41 -37.6 84.07 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 118.91 -1.116 . . . . 0.0 108.501 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.05 73.69 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.599 HD13 ' CB ' ' A' ' 162' ' ' ALA . 97.2 mt -66.29 -35.43 80.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.385 -0.822 . . . . 0.0 109.842 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.94 -41.64 71.32 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.903 -1.123 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -61.86 -34.24 75.64 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.548 -0.72 . . . . 0.0 109.135 179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -61.62 -40.85 96.3 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.436 -0.79 . . . . 0.0 110.785 -179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -93.63 -18.21 22.43 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.06 -1.025 . . . . 0.0 110.789 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -90.76 171.35 9.4 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.163 -0.961 . . . . 0.0 109.269 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.454 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.26 118.22 36.14 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -0.859 . . . . 0.0 109.313 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.645 ' N ' HD12 ' B' ' 185' ' ' LEU . 8.0 mp -91.81 142.51 26.66 Favored Pre-proline 0 C--N 1.3 -1.563 0 C-N-CA 119.444 -0.902 . . . . 0.0 109.088 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.332 2.022 . . . . 0.0 112.21 179.852 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.59 78.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.303 -0.873 . . . . 0.0 109.485 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -60.37 -35.95 76.9 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.354 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.42 -36.81 79.05 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.76 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.21 -39.56 93.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.42 97.47 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.163 -0.96 . . . . 0.0 109.55 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -59.78 -44.91 93.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.31 -0.869 . . . . 0.0 109.102 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 ' CE2' ' A' ' 30' ' ' TYR . 83.7 t -61.39 -38.94 81.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.2 t -58.5 -45.25 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.175 -0.953 . . . . 0.0 109.102 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.04 -42.95 75.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 108.839 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.8 m -62.65 -38.59 90.89 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.482 -0.761 . . . . 0.0 109.073 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.47 83.81 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.262 -0.899 . . . . 0.0 108.799 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -60.87 -31.81 71.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.436 -0.79 . . . . 0.0 109.184 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.82 -41.67 96.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.383 -0.823 . . . . 0.0 109.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -63.99 -37.22 86.63 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.343 -0.848 . . . . 0.0 109.768 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.0 -42.23 98.03 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.092 -1.005 . . . . 0.0 108.676 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -60.98 -30.26 70.16 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.451 -0.781 . . . . 0.0 108.959 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.29 -12.12 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.88 64.17 Favored Glycine 0 N--CA 1.493 2.464 0 C-N-CA 119.903 -1.141 . . . . 0.0 110.498 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' H ' HG12 ' A' ' 18' ' ' VAL . 74.3 mt -94.38 62.11 2.86 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.953 -1.322 . . . . 0.0 109.397 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.15 -32.32 71.24 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.429 HG13 HE22 ' B' ' 134' ' ' GLN . 4.3 mm -57.48 -43.81 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.139 -1.212 . . . . 0.0 109.494 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.91 -48.04 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.114 -0.992 . . . . 0.0 108.762 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.67 -32.3 78.19 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.036 -1.625 . . . . 0.0 109.036 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.642 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.1 t80 -58.69 -48.86 79.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.425 -1.044 . . . . 0.0 109.707 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 30.9 m-85 -67.37 -35.93 80.32 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.975 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.22 -40.88 97.6 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.042 -1.036 . . . . 0.0 109.762 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.561 HE22 HG21 ' A' ' 55' ' ' THR . 95.9 mt-30 -61.78 -39.22 90.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.044 -1.035 . . . . 0.0 108.748 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.07 -38.11 89.89 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.65 ' CD2' ' SG ' ' A' ' 130' ' ' CYS . 29.8 t80 -61.95 -47.04 86.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.451 -0.781 . . . . 0.0 109.944 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.15 82.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.259 -0.901 . . . . 0.0 110.341 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.46 -47.99 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.118 -0.989 . . . . 0.0 110.869 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 95.5 mt-10 -64.63 -32.3 73.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.2 -0.938 . . . . 0.0 110.136 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 5' ' ' ALA . 4.6 mp -62.27 -44.63 96.09 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.078 -1.014 . . . . 0.0 109.775 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 49' ' ' ALA . 81.0 mt -62.98 -47.19 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.245 -0.909 . . . . 0.0 109.512 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.0 -38.16 87.77 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.335 -0.853 . . . . 0.0 109.677 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -78.09 1.62 20.56 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.475 -0.765 . . . . 0.0 109.305 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -91.14 126.05 36.11 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.23 -0.919 . . . . 0.0 109.293 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.56 -36.62 83.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.214 -0.929 . . . . 0.0 109.702 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -98.19 125.85 43.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.312 -0.868 . . . . 0.0 109.951 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -133.33 142.25 48.35 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.11 159.53 19.93 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -52.25 -36.65 53.08 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.935 -1.103 . . . . 0.0 108.555 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.04 -41.73 77.27 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.316 -0.865 . . . . 0.0 110.061 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.474 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.0 mtp -70.97 -41.97 70.32 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.995 -1.066 . . . . 0.0 109.849 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -63.07 -43.6 98.1 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.281 -0.887 . . . . 0.0 109.549 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.2 79.54 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.431 -0.793 . . . . 0.0 109.786 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.32 -40.2 95.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.237 -0.914 . . . . 0.0 109.729 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.509 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -66.21 -41.38 90.22 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.155 -0.966 . . . . 0.0 109.508 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -60.38 -45.59 93.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.427 -0.795 . . . . 0.0 110.479 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.67 -38.18 74.69 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.9 . . . . 0.0 109.82 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.9 mt -64.47 -37.68 88.39 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.172 -0.955 . . . . 0.0 109.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.66 -38.77 78.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.949 -1.094 . . . . 0.0 109.191 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -62.44 -43.77 98.01 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.27 -0.894 . . . . 0.0 109.333 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.561 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -68.27 -48.04 66.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.94 . . . . 0.0 109.674 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' LEU . 2.0 mt -59.77 -47.7 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.426 -0.796 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -41.73 80.59 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.281 -0.887 . . . . 0.0 108.956 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.642 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.2 t80 -64.85 -48.7 73.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.386 -0.821 . . . . 0.0 109.374 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 44.8 tttt -64.94 -39.93 94.25 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.411 -0.806 . . . . 0.0 109.183 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -63.04 -33.76 76.12 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.74 -31.06 67.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.701 ' O ' HG22 ' A' ' 63' ' ' ILE . 69.3 mt -124.26 9.6 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.411 -0.806 . . . . 0.0 109.826 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.06 -37.51 45.79 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.22 1.14 64.93 Favored Glycine 0 N--CA 1.489 2.169 0 O-C-N 121.221 -1.164 . . . . 0.0 110.259 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.81 -38.14 77.96 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.901 -1.352 . . . . 0.0 108.893 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.2 -29.58 0.89 Allowed 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.49 -31.36 72.49 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -62.26 -42.93 99.77 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.226 -0.921 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.91 -38.81 23.86 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.189 -0.944 . . . . 0.0 108.916 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.69 -39.58 91.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.335 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 74' ' ' LYS . 4.4 t -130.16 -60.64 1.01 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.479 -0.763 . . . . 0.0 109.923 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 69' ' ' ALA . 60.3 t0 62.7 -13.59 0.07 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.608 -0.683 . . . . 0.0 109.801 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.6 ' H ' ' C ' ' A' ' 72' ' ' SER . 29.4 mttt -95.67 -79.55 0.44 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.019 -1.05 . . . . 0.0 109.22 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.8 p -67.92 -36.39 80.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.345 -0.847 . . . . 0.0 110.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.55 HD11 HG23 ' A' ' 63' ' ' ILE . 34.4 tp -65.12 -35.47 81.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.66 -1.275 . . . . 0.0 109.185 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.3 t60 -60.29 -45.05 94.7 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.318 -0.864 . . . . 0.0 109.398 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -65.2 -42.89 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 119.249 -0.981 . . . . 0.0 108.445 179.374 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.472 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 10.7 ttt -58.25 -36.8 73.75 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.48 -32.19 71.17 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.591 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 21.1 m -57.17 -37.81 72.66 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 77.7 mt -60.36 -40.53 91.11 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.498 -0.751 . . . . 0.0 109.561 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.3 mt -86.16 -45.07 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.292 -0.88 . . . . 0.0 111.57 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.561 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 94.1 m-70 -76.23 -48.02 21.84 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.194 -0.941 . . . . 0.0 111.314 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -79.51 98.9 7.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.879 -1.138 . . . . 0.0 109.556 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -64.25 -36.45 84.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.435 -0.791 . . . . 0.0 109.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.97 -47.16 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.302 -0.874 . . . . 0.0 110.279 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -65.1 -42.06 94.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.061 -1.024 . . . . 0.0 109.164 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -63.55 -38.06 89.69 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.728 ' NZ ' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.86 -46.71 78.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.504 -0.748 . . . . 0.0 109.864 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.57 -47.1 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.183 -0.948 . . . . 0.0 109.513 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -65.54 -41.53 92.91 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.228 -0.92 . . . . 0.0 109.196 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 tpt -62.32 -41.24 98.39 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.3 tp -62.17 -42.15 98.99 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.497 ' ND2' ' CD1' ' B' ' 143' ' ' LEU . 40.8 t30 -63.13 -41.75 99.38 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.319 -0.863 . . . . 0.0 109.242 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -62.85 -50.03 72.55 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.317 -0.864 . . . . 0.0 109.048 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.812 ' OG1' HD11 ' A' ' 131' ' ' ILE . 50.1 m -64.37 -45.25 88.52 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.349 -0.844 . . . . 0.0 108.851 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 90.8 mmm -63.39 -38.18 90.17 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.345 -0.847 . . . . 0.0 109.703 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -61.37 -47.06 87.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.5 -44.34 82.83 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.14 -0.975 . . . . 0.0 108.488 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -60.94 -41.39 96.14 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.693 -0.63 . . . . 0.0 110.057 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.446 ' HA ' HD23 ' B' ' 150' ' ' LEU . 2.9 m120 -62.8 -37.52 87.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 110.387 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.67 -39.08 93.06 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.071 -1.018 . . . . 0.0 110.327 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HB3' HD21 ' A' ' 121' ' ' LEU . 25.8 mmtt -62.57 -45.29 93.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.007 -1.058 . . . . 0.0 109.957 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.952 HD12 HD21 ' B' ' 150' ' ' LEU . 21.6 mt -67.8 -35.98 79.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.951 -1.093 . . . . 0.0 108.493 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -59.73 -43.5 94.18 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.544 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.1 mt-30 -65.61 -36.89 85.03 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.768 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.5 tp -59.95 -33.9 72.54 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.704 ' HD2' HG13 ' B' ' 153' ' ' VAL . 62.1 tttt -59.42 -45.25 92.06 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.688 -0.632 . . . . 0.0 110.219 -178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.505 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 68.6 m-20 -160.84 -2.51 0.06 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.18 -0.95 . . . . 0.0 111.097 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -72.97 157.84 52.68 Favored Glycine 0 N--CA 1.493 2.465 0 O-C-N 120.662 -1.274 . . . . 0.0 109.935 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.9 140.75 74.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.738 2.292 . . . . 0.0 112.271 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.434 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 4.0 m-90 -105.86 134.77 48.45 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.303 -0.873 . . . . 0.0 109.024 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.6 p30 -154.77 172.57 17.74 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.055 -1.028 . . . . 0.0 110.34 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.72 -38.24 50.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.674 -0.641 . . . . 0.0 109.6 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.4 ttm -55.62 -42.76 75.37 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.983 -1.073 . . . . 0.0 109.1 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.544 HD13 ' OE1' ' A' ' 107' ' ' GLN . 40.4 tp -62.58 -35.6 80.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.3 -0.875 . . . . 0.0 108.897 178.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 158' ' ' LEU . 85.5 tttt -57.82 -47.16 83.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.424 -0.797 . . . . 0.0 110.213 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -68.11 -39.14 82.86 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.414 -0.804 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.3 p -64.78 -35.31 80.67 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.131 -0.981 . . . . 0.0 110.081 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 121' ' ' LEU . 77.6 mt -63.37 -40.79 98.22 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.159 -0.963 . . . . 0.0 109.593 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.844 ' NE1' HD21 ' A' ' 158' ' ' LEU . 45.7 m95 -62.34 -36.81 83.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.502 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.44 95.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 17.3 m -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.365 -0.835 . . . . 0.0 109.776 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.561 HG23 HG23 ' A' ' 151' ' ' ILE . 91.4 mt -58.6 -42.18 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.25 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.31 -41.22 98.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.092 -1.005 . . . . 0.0 110.261 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.82 -38.75 89.31 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.562 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.708 ' HB3' HD11 ' A' ' 151' ' ' ILE . 22.1 m-85 -63.56 -43.98 95.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.053 -1.029 . . . . 0.0 110.519 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.92 -36.57 81.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.076 -1.015 . . . . 0.0 110.009 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.65 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 93.0 m -65.38 -43.47 90.59 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.268 -0.895 . . . . 0.0 110.203 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.812 HD11 ' OG1' ' A' ' 97' ' ' THR . 92.9 mt -59.42 -42.51 87.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.071 -1.018 . . . . 0.0 110.348 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.844 HD21 HD12 ' A' ' 147' ' ' LEU . 87.5 mt -68.82 -45.29 71.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.93 -1.106 . . . . 0.0 110.034 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.609 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 8.8 t60 -69.61 -38.55 77.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.383 -0.823 . . . . 0.0 110.626 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.99 -32.37 72.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.268 -0.895 . . . . 0.0 111.275 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -143.3 58.7 1.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.747 -1.22 . . . . 0.0 111.258 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.73 -37.79 85.52 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.84 -1.162 . . . . 0.0 109.354 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.3 -28.91 68.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.56 -0.713 . . . . 0.0 111.104 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.728 HD22 ' NZ ' ' A' ' 90' ' ' LYS . 10.3 t30 -92.06 0.32 57.47 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.825 -1.172 . . . . 0.0 110.385 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.7 mt -117.87 127.08 75.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 109.27 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.73 160.04 33.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.256 -0.903 . . . . 0.0 109.37 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.01 -38.49 91.26 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.952 . . . . 0.0 109.399 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.8 m -65.3 -45.12 85.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.464 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -63.06 -38.62 91.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.398 -0.814 . . . . 0.0 109.446 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.773 HG23 HD22 ' A' ' 132' ' ' LEU . 46.4 m -61.48 -39.92 92.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.428 -0.795 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.19 -38.82 77.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 21.8 m -61.78 -41.47 97.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.159 -0.963 . . . . 0.0 109.328 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.844 HD12 HD21 ' A' ' 132' ' ' LEU . 83.8 mt -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.46 -0.775 . . . . 0.0 109.628 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.76 -36.83 79.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.418 -0.801 . . . . 0.0 109.464 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' B' ' 162' ' ' GLU . 19.0 tttp -61.97 -41.06 97.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.93 . . . . 0.0 109.028 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 146' ' ' SER . 68.5 mtt85 -61.04 -41.91 97.47 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.393 -0.817 . . . . 0.0 109.032 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 128' ' ' PHE . 77.9 mt -65.42 -43.93 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.598 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 14.8 mmtt -61.25 -39.14 89.22 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.617 -0.677 . . . . 0.0 109.763 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.55 ' OH ' HD11 ' B' ' 154' ' ' LEU . 27.9 t80 -58.53 -43.67 89.28 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.319 -0.863 . . . . 0.0 108.707 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.4 m -66.53 -41.28 89.0 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -58.85 -44.02 90.91 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.427 -0.795 . . . . 0.0 109.706 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.5 -50.2 53.02 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.768 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.6 -35.89 81.28 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.295 -0.878 . . . . 0.0 110.167 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.844 HD21 ' NE1' ' A' ' 122' ' ' TRP . 37.0 tp -60.11 -39.5 86.4 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.103 -0.998 . . . . 0.0 108.734 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.6 t -66.96 -45.45 77.69 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.264 -0.898 . . . . 0.0 109.553 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -60.88 -38.2 84.81 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.751 . . . . 0.0 109.437 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 158' ' ' LEU . 19.2 mt -63.7 -36.78 85.0 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.35 -0.844 . . . . 0.0 109.373 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.64 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -69.65 -30.89 68.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.434 -0.791 . . . . 0.0 110.837 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -86.17 -1.77 57.74 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 120.845 -1.16 . . . . 0.0 110.206 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.99 16.06 79.55 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -74.36 -28.24 61.04 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.186 -1.185 . . . . 0.0 109.227 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.535 ' HB ' HD23 ' A' ' 161' ' ' LEU . 22.3 mm -107.29 133.35 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.352 -0.843 . . . . 0.0 109.197 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.96 -1.467 . . . . 0.0 109.567 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.572 ' C ' ' H ' ' B' ' 130' ' ' ILE . 76.3 mt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.559 ' C ' HD22 ' B' ' 129' ' ' ASN . 0.0 OUTLIER -73.98 20.0 0.11 Allowed 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.672 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -62.39 -44.19 98.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.575 ' N ' HG23 ' B' ' 130' ' ' ILE . 86.5 m-20 -76.4 -40.36 51.06 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.76 -36.83 85.18 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 121.462 0.648 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.89 -47.22 85.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.433 -0.792 . . . . 0.0 109.226 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.429 HE22 HG13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.75 -43.94 78.67 Favored 'General case' 0 C--N 1.299 -1.623 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.093 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' B' ' 136' ' ' MET . 50.6 t0 -175.08 165.3 3.42 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.427 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 51.2 ttm -69.66 85.66 0.46 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.95 -1.094 . . . . 0.0 108.748 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -133.6 159.61 39.97 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.389 -0.819 . . . . 0.0 109.947 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' B' ' 138' ' ' ASP . 54.1 p30 -88.39 -158.06 0.46 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.338 -0.851 . . . . 0.0 109.445 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -53.63 144.43 17.65 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.219 -0.926 . . . . 0.0 109.53 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' B' ' 140' ' ' MET . 3.7 mpp? -59.55 -40.63 87.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.313 -0.867 . . . . 0.0 109.746 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.33 -37.22 84.79 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.231 -0.918 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.12 -38.72 83.9 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.195 -0.941 . . . . 0.0 108.815 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.497 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 20.0 mt -58.76 -30.98 67.93 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' B' ' 147' ' ' GLY . 52.0 mt -67.83 -30.19 47.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 120.928 -1.108 . . . . 0.0 108.018 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.7 -38.94 70.36 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -58.99 -35.7 73.67 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' B' ' 144' ' ' ILE . . . -61.24 -31.45 77.06 Favored Glycine 0 N--CA 1.484 1.835 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.61 -37.92 68.78 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.726 -1.456 . . . . 0.0 107.325 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.35 -34.17 74.84 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.952 HD21 HD12 ' A' ' 105' ' ' LEU . 3.3 tm? -54.94 -43.93 73.82 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.85 -40.08 91.53 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.364 -0.835 . . . . 0.0 109.119 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.544 ' OE2' ' CE ' ' B' ' 156' ' ' MET . 9.9 tm-20 -62.42 -39.52 93.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.448 -0.782 . . . . 0.0 109.688 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 109' ' ' LYS . 81.1 t -64.81 -49.88 77.95 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 O-C-N 121.483 -0.76 . . . . 0.0 110.253 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.55 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.54 -33.12 74.97 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.137 -0.977 . . . . 0.0 109.085 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.45 ' HB1' ' ND2' ' B' ' 159' ' ' ASN . . . -61.25 -42.98 99.56 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.267 -0.895 . . . . 0.0 109.557 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.544 ' CE ' ' OE2' ' B' ' 152' ' ' GLU . 44.4 mtt -65.26 -37.6 87.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.044 -1.035 . . . . 0.0 109.628 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.6 t-20 -60.49 -38.66 85.02 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.313 -0.867 . . . . 0.0 109.263 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.9 m-20 170.98 104.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.502 -0.748 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.45 ' ND2' ' HB1' ' B' ' 155' ' ' ALA . 24.6 m120 -58.3 -35.56 72.01 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 108.799 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 43.4 p -85.22 3.04 41.19 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.49 97.93 0.06 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 149' ' ' LYS . 50.1 tp10 -121.73 153.0 38.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.519 -0.989 . . . . 0.0 109.126 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.662 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.9 mp -55.54 -34.51 64.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.087 -1.008 . . . . 0.0 109.171 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.56 -33.65 71.69 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.364 -0.835 . . . . 0.0 109.406 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.43 -24.33 57.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.372 -0.83 . . . . 0.0 109.638 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 40.6 mt -101.55 134.38 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.221 -0.924 . . . . 0.0 108.755 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 75.2 m -58.78 71.08 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.41 -0.806 . . . . 0.0 110.281 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 52.9 t0 -66.14 -38.56 88.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -0.939 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.06 76.25 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.019 -1.051 . . . . 0.0 111.41 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.66 -44.13 64.84 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.94 -1.1 . . . . 0.0 109.73 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.1 -38.43 88.83 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.647 -0.658 . . . . 0.0 110.462 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.598 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 87.8 m-20 -61.12 -43.42 98.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.09 -1.006 . . . . 0.0 110.352 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.19 -39.26 82.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.048 -1.032 . . . . 0.0 109.791 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.484 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.5 mt-10 -65.35 -37.62 87.61 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.321 -0.862 . . . . 0.0 110.299 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.597 HD11 HD23 ' A' ' 158' ' ' LEU . 17.7 tp -66.42 -36.7 83.48 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.97 -1.081 . . . . 0.0 110.69 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 32.0 m-20 -61.98 -36.86 82.74 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.97 -1.081 . . . . 0.0 108.507 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.32 68.81 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.272 -0.893 . . . . 0.0 108.68 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.64 HD13 ' CB ' ' A' ' 162' ' ' ALA . 95.0 mt -67.69 -38.01 83.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.454 -0.778 . . . . 0.0 110.35 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -56.25 -43.63 78.88 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.127 -0.983 . . . . 0.0 109.275 -179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -62.32 -36.13 81.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.338 -0.851 . . . . 0.0 109.429 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.441 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.3 tm-20 -70.12 -47.59 61.13 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.371 -0.831 . . . . 0.0 110.445 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.474 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 24.9 m-20 -68.58 -37.56 79.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.295 -0.878 . . . . 0.0 109.987 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -82.28 171.25 14.45 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.39 -0.818 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.451 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.29 117.64 34.6 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.367 -0.833 . . . . 0.0 109.384 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.461 ' N ' HD12 ' B' ' 185' ' ' LEU . 5.9 mp -91.66 140.25 25.12 Favored Pre-proline 0 C--N 1.299 -1.588 0 O-C-N 121.351 -0.843 . . . . 0.0 109.075 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo . . . . . 0 N--CA 1.491 1.33 0 C-N-CA 122.256 1.971 . . . . 0.0 112.205 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.465 ' HB2' ' CD ' ' A' ' 38' ' ' GLU . . . -61.68 -35.54 78.29 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.292 -0.88 . . . . 0.0 109.499 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -60.2 -35.49 75.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.223 -0.923 . . . . 0.0 109.554 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.17 -38.0 81.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.4 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.23 -39.65 93.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.37 -0.831 . . . . 0.0 109.437 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.15 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.202 -0.937 . . . . 0.0 109.687 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' NH1' ' OD1' ' A' ' 126' ' ' ASP . 9.2 ttm180 -59.84 -44.0 94.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.279 -0.888 . . . . 0.0 109.145 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.559 HG11 ' HD2' ' A' ' 30' ' ' TYR . 90.5 t -61.69 -39.54 83.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.8 -44.86 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.376 -0.827 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.88 92.62 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.274 -0.891 . . . . 0.0 108.691 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m -62.02 -38.55 89.12 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.483 -0.761 . . . . 0.0 109.214 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.5 84.86 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.316 -0.865 . . . . 0.0 109.207 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -30.72 70.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.285 -0.884 . . . . 0.0 109.126 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -60.56 -41.31 94.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.86 . . . . 0.0 109.308 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 23' ' ' ILE . 78.6 m-85 -63.99 -37.1 86.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.323 -0.861 . . . . 0.0 109.588 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -42.21 97.65 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.15 -0.968 . . . . 0.0 108.675 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -61.04 -30.43 70.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.47 -11.47 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.502 -0.749 . . . . 0.0 109.726 -179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 4.93 63.19 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 120.042 -1.075 . . . . 0.0 110.475 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 20' ' ' LEU . 78.7 mt -95.93 69.35 2.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.977 -1.307 . . . . 0.0 109.197 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.65 -35.76 92.45 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.431 HD11 ' HE2' ' A' ' 79' ' ' MET . 78.5 mt -57.86 -43.24 83.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.999 -1.295 . . . . 0.0 109.876 -179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.7 mm -66.25 -48.92 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.008 -1.057 . . . . 0.0 108.645 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.11 -32.28 79.86 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 85.8 t80 -58.46 -49.41 77.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.474 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 36.4 m-85 -67.51 -36.24 80.69 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.173 -0.954 . . . . 0.0 110.244 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.7 mt -64.0 -41.77 97.37 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.016 -1.053 . . . . 0.0 110.345 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -61.64 -39.86 92.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.031 -1.043 . . . . 0.0 108.969 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.47 -38.56 91.44 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.43 -0.794 . . . . 0.0 109.161 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 34' ' ' LEU . 34.9 t80 -62.76 -42.56 99.74 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.682 . . . . 0.0 110.558 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.09 -37.72 88.43 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.08 -1.012 . . . . 0.0 110.408 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 t -61.1 -47.28 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.063 -1.023 . . . . 0.0 110.488 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.4 mt-10 -63.39 -31.17 72.25 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.395 -0.816 . . . . 0.0 110.068 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.752 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -60.41 -48.08 83.29 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.124 -0.985 . . . . 0.0 109.469 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 45' ' ' MET . 98.0 mt -65.48 -43.12 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.204 -0.935 . . . . 0.0 109.448 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 36' ' ' LEU . 87.0 mt -64.75 -39.03 92.93 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.692 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -78.96 1.61 23.16 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.511 -0.743 . . . . 0.0 109.106 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.465 ' CD ' ' HB2' ' A' ' 2' ' ' ALA . 84.2 tt0 -95.2 127.46 41.27 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.43 -36.24 82.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.235 -0.916 . . . . 0.0 109.654 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.84 125.92 42.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.286 -0.884 . . . . 0.0 109.985 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -131.78 144.07 50.67 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.429 -0.794 . . . . 0.0 109.523 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -114.03 158.44 21.19 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -52.12 -34.75 45.7 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.938 -1.101 . . . . 0.0 108.365 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -66.74 -45.13 79.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.371 -0.831 . . . . 0.0 109.961 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.419 ' O ' HD13 ' A' ' 35' ' ' ILE . 90.2 mmm -74.63 -41.98 59.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.825 -1.172 . . . . 0.0 109.594 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.5 m -61.66 -45.11 95.45 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 109.349 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.42 72.68 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.448 -0.783 . . . . 0.0 109.479 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 tp -62.64 -40.09 95.9 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.38 -0.825 . . . . 0.0 109.62 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.93 94.21 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.232 -0.917 . . . . 0.0 109.49 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -60.13 -45.88 91.54 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.296 -0.877 . . . . 0.0 110.19 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.15 -38.23 79.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.9 . . . . 0.0 109.67 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.78 -36.94 85.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 53' ' ' LEU . 81.7 mt -58.41 -39.54 80.02 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.032 -1.043 . . . . 0.0 109.22 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.27 -42.6 99.48 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.357 -0.839 . . . . 0.0 109.403 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 m -64.58 -44.5 90.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.341 -0.85 . . . . 0.0 109.741 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.46 -51.26 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.123 -0.986 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.5 -38.82 90.84 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.436 -0.79 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.29 88.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 109.225 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.6 t80 -65.51 -48.17 73.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.386 -0.821 . . . . 0.0 109.676 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 64' ' ' GLY . 28.4 tttt -60.69 -35.04 75.3 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.455 -0.778 . . . . 0.0 109.203 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.05 -34.66 78.05 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 109.075 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.3 -31.46 70.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.237 -0.914 . . . . 0.0 109.259 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 63' ' ' ILE . 4.9 mp -120.28 8.71 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.448 -0.782 . . . . 0.0 109.581 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -51.93 -37.82 45.21 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.37 3.87 66.72 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -36.73 81.85 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.992 -1.299 . . . . 0.0 108.992 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.99 -29.85 0.89 Allowed 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.64 -32.21 73.62 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -63.04 -39.98 96.35 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.433 -0.792 . . . . 0.0 109.425 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.99 -39.82 42.29 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.202 -0.936 . . . . 0.0 108.844 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.19 -38.5 83.46 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.279 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.608 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -134.49 -60.26 0.8 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.342 -0.849 . . . . 0.0 110.159 -179.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' N ' ' O ' ' A' ' 69' ' ' ALA . 56.0 t0 59.64 -6.48 0.07 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.523 -0.736 . . . . 0.0 109.181 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.608 ' H ' ' C ' ' A' ' 72' ' ' SER . 19.1 ttpp -100.16 -81.21 0.47 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.191 -0.943 . . . . 0.0 108.885 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.4 p -68.06 -35.29 77.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.416 -0.802 . . . . 0.0 109.833 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 76' ' ' LEU . 35.0 tp -67.49 -35.4 79.08 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.925 -1.109 . . . . 0.0 109.479 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.485 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 84.4 t60 -60.24 -45.13 94.29 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -63.7 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.066 -1.021 . . . . 0.0 108.531 179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.458 ' HE1' HD21 ' B' ' 133' ' ' LEU . 7.2 ttt -58.54 -36.42 73.86 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.49 -32.72 71.7 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.593 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 27.6 m -56.78 -37.65 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 56.4 mt -60.02 -40.24 88.63 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.473 -0.767 . . . . 0.0 109.495 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.405 HG23 ' CE2' ' A' ' 25' ' ' TYR . 59.8 mt -84.4 -45.62 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.207 -0.933 . . . . 0.0 110.986 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.582 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.9 m-70 -74.0 -47.04 39.9 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.319 -0.863 . . . . 0.0 111.108 -178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -83.41 100.92 11.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.856 -1.153 . . . . 0.0 109.897 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -64.61 -35.51 81.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.279 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' HG3' HD21 ' A' ' 138' ' ' ASN . 84.7 tt0 -62.47 -48.14 80.92 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.156 -0.965 . . . . 0.0 110.609 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.826 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 57.1 tttm -65.56 -39.76 92.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.066 -1.021 . . . . 0.0 109.153 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.29 -37.75 86.75 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.453 -0.779 . . . . 0.0 108.948 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -52.91 -46.53 68.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.399 -0.813 . . . . 0.0 109.451 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.68 -46.16 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.171 -0.956 . . . . 0.0 109.809 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -65.01 -42.84 94.06 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.095 -1.003 . . . . 0.0 109.483 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.1 tpt -62.36 -40.85 97.78 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.981 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -64.21 -42.77 96.47 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.359 -0.838 . . . . 0.0 108.866 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' B' ' 140' ' ' MET . 3.1 m120 -63.17 -40.74 98.41 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.273 -0.892 . . . . 0.0 109.216 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -66.01 -49.86 66.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.37 -0.831 . . . . 0.0 108.914 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.833 ' OG1' HD11 ' A' ' 131' ' ' ILE . 51.9 m -62.72 -44.44 96.21 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.394 -0.816 . . . . 0.0 109.01 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 88.3 mmm -63.08 -38.27 90.53 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 109.628 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 21.5 m -62.06 -46.23 90.03 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.248 -0.907 . . . . 0.0 109.234 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.0 tp -66.76 -44.86 80.32 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.445 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 52.4 t80 -61.18 -43.07 99.46 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.659 -0.651 . . . . 0.0 109.666 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.476 ' HA ' HD13 ' B' ' 150' ' ' LEU . 61.4 t-20 -61.73 -38.57 88.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.271 -0.893 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.5 -40.01 95.34 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 110.282 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.593 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 26.6 mmtt -64.94 -45.66 84.86 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.058 -1.026 . . . . 0.0 110.039 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.957 HD12 HD11 ' B' ' 150' ' ' LEU . 20.1 mt -67.71 -36.09 79.97 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.063 -1.023 . . . . 0.0 108.534 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -60.02 -44.5 94.55 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.431 ' OE1' HD13 ' A' ' 117' ' ' LEU . 96.2 mt-30 -65.3 -36.87 85.41 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.767 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.2 tp -58.5 -33.51 69.9 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' B' ' 153' ' ' VAL . 64.2 tttt -59.36 -38.93 81.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.709 -0.619 . . . . 0.0 110.08 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 35.6 m-20 -168.42 -20.87 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.2 -0.937 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.64 157.81 5.11 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.75 140.55 74.7 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.922 2.415 . . . . 0.0 112.666 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CZ3' ' O ' ' A' ' 167' ' ' GLY . 3.0 m-90 -106.38 137.61 44.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -154.33 172.23 18.0 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.937 -1.102 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 63.1 t -55.47 -39.13 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.677 -0.639 . . . . 0.0 109.292 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.6 ttp -56.41 -42.36 77.84 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.94 -1.1 . . . . 0.0 108.742 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.431 HD13 ' OE1' ' A' ' 107' ' ' GLN . 37.3 tp -62.27 -36.73 82.96 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.313 -0.867 . . . . 0.0 109.019 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.51 ' HG3' HD11 ' A' ' 158' ' ' LEU . 87.9 tttt -57.71 -48.11 80.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.822 . . . . 0.0 110.094 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -67.61 -38.87 84.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.383 -0.823 . . . . 0.0 109.542 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.593 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 5.3 t -61.98 -38.88 90.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.447 -0.783 . . . . 0.0 110.08 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 121' ' ' LEU . 84.6 mt -61.41 -39.71 91.74 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.975 -1.078 . . . . 0.0 109.032 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.88 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.9 m95 -61.77 -38.38 87.79 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.413 -0.804 . . . . 0.0 109.188 178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -41.84 95.75 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.494 -0.754 . . . . 0.0 109.659 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 50.5 m -61.81 -39.98 93.63 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.344 -0.848 . . . . 0.0 109.739 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.54 -42.57 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.013 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.588 ' OD1' ' NH1' ' A' ' 7' ' ' ARG . 92.1 m-20 -62.35 -41.11 98.32 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.117 -0.989 . . . . 0.0 110.359 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.32 -40.65 95.01 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.281 -0.887 . . . . 0.0 110.648 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.671 ' HB3' HD11 ' A' ' 151' ' ' ILE . 23.9 m-85 -63.92 -42.82 97.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.866 -1.146 . . . . 0.0 110.311 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -61.79 -36.45 81.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.059 -1.026 . . . . 0.0 109.907 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.548 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -68.0 -41.68 81.88 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.796 -179.751 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.833 HD11 ' OG1' ' A' ' 97' ' ' THR . 94.0 mt -59.35 -42.34 87.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.084 -1.01 . . . . 0.0 110.468 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.639 HD21 HD12 ' A' ' 147' ' ' LEU . 85.6 mt -69.23 -45.29 70.18 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.006 -1.059 . . . . 0.0 110.337 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.585 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -66.97 -43.44 83.08 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.404 -0.81 . . . . 0.0 111.208 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.548 HD12 ' SG ' ' A' ' 130' ' ' CYS . 87.6 mt -61.18 -31.79 71.53 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 -178.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 86' ' ' GLN . 5.6 m-90 -139.74 56.33 1.64 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.723 -1.236 . . . . 0.0 111.281 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -62.17 -38.43 89.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.916 -1.115 . . . . 0.0 109.38 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -67.02 -28.69 68.44 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.482 -0.762 . . . . 0.0 111.192 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.438 HD21 ' HG3' ' A' ' 87' ' ' GLU . 51.4 t30 -91.87 1.02 57.45 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.5 mt -117.64 125.92 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 109.136 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 m -70.79 160.03 33.46 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -63.82 -38.9 92.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.178 -0.951 . . . . 0.0 109.37 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.5 m -65.62 -45.42 83.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.3 m -62.73 -38.62 91.23 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.359 -0.838 . . . . 0.0 109.272 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.62 HG23 HD22 ' A' ' 132' ' ' LEU . 44.6 m -61.4 -39.47 90.84 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.458 -0.776 . . . . 0.0 109.349 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 145' ' ' ASN . 2.9 m120 -57.75 -38.97 76.32 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.619 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.578 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 m -61.85 -41.39 97.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.242 -0.911 . . . . 0.0 109.17 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.639 HD12 HD21 ' A' ' 132' ' ' LEU . 87.2 mt -66.7 -40.98 88.7 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.378 -0.826 . . . . 0.0 109.665 179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.84 -37.35 81.74 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.435 -0.791 . . . . 0.0 109.435 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -62.26 -41.56 98.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.163 -0.961 . . . . 0.0 108.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.578 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.7 mtt85 -61.47 -41.84 97.87 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.403 -0.811 . . . . 0.0 108.974 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.9 mt -65.48 -43.33 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.578 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.2 mmtt -61.25 -39.78 91.62 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.726 ' OH ' HD11 ' B' ' 154' ' ' LEU . 20.2 t80 -57.18 -43.66 82.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.367 -0.833 . . . . 0.0 108.849 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.81 -42.19 86.31 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.259 -0.9 . . . . 0.0 108.754 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -59.03 -43.46 91.62 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.414 -0.804 . . . . 0.0 109.527 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.447 HG23 HD13 ' B' ' 171' ' ' LEU . 89.5 mt -69.2 -49.16 64.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 O-C-N 120.89 -1.131 . . . . 0.0 110.696 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.767 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.6 m-85 -65.92 -35.55 80.93 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.175 -0.953 . . . . 0.0 110.987 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 1.016 HD23 HD11 ' B' ' 175' ' ' LEU . 32.5 tp -59.85 -36.02 75.98 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.817 -1.177 . . . . 0.0 108.414 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.587 ' HB2' HD23 ' B' ' 175' ' ' LEU . 0.1 OUTLIER -70.29 -39.14 75.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.153 -0.967 . . . . 0.0 109.531 179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.08 -39.34 85.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.244 -0.91 . . . . 0.0 109.289 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 158' ' ' LEU . 18.3 mt -59.62 -36.32 76.12 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 108.557 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.639 ' HB2' HD22 ' B' ' 178' ' ' LEU . . . -63.86 -29.03 70.26 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.457 -0.777 . . . . 0.0 109.409 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -80.35 -16.03 55.49 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.231 -0.918 . . . . 0.0 109.385 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.15 10.99 81.79 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 108.404 -1.879 . . . . 0.0 108.404 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.61 -28.41 60.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.558 -0.966 . . . . 0.0 109.844 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.6 mm -102.0 131.59 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.175 -0.953 . . . . 0.0 108.93 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.57 ' O ' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.093 0 CA-C-O 117.916 -1.491 . . . . 0.0 109.646 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.712 HG22 ' ND2' ' B' ' 129' ' ' ASN . 80.2 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.712 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.8 m120 -75.83 20.12 0.19 Allowed 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.826 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 19.8 tt -64.81 -41.72 92.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.548 ' N ' HG23 ' B' ' 130' ' ' ILE . 83.1 m-20 -74.87 -41.63 59.43 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -66.96 -39.46 87.25 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.481 0.658 . . . . 0.0 109.824 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . 0.458 HD21 ' HE1' ' A' ' 79' ' ' MET . 3.2 tt -63.13 -48.15 79.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.529 -0.732 . . . . 0.0 110.558 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -73.37 -39.08 65.43 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.589 -0.694 . . . . 0.0 110.474 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' B' ' 136' ' ' MET . 56.5 t0 -150.41 151.0 32.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.174 -0.954 . . . . 0.0 109.792 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.43 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 96.4 mmm -59.17 -30.96 68.56 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.357 -0.839 . . . . 0.0 109.631 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -54.61 142.7 27.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -63.55 -40.47 97.08 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.475 -0.766 . . . . 0.0 111.814 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -132.94 149.49 52.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.959 -1.088 . . . . 0.0 111.541 -178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.418 ' O ' ' OD1' ' A' ' 95' ' ' ASN . 68.8 mtm -63.63 -37.06 85.92 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.951 0.881 . . . . 0.0 108.973 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.6 -32.45 65.28 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.2 -35.72 72.05 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.13 -34.04 71.59 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 61.7 mt -68.12 -30.55 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.26 -0.9 . . . . 0.0 108.937 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.06 -36.68 75.46 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.15 -35.99 74.49 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 177.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.27 -33.05 82.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 108.263 -1.935 . . . . 0.0 108.263 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -55.83 -38.88 70.62 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.854 -1.38 . . . . 0.0 107.747 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -61.09 -33.95 74.16 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.957 HD11 HD12 ' A' ' 105' ' ' LEU . 39.6 tp -55.26 -41.75 72.63 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.286 -0.884 . . . . 0.0 108.778 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -59.76 -42.1 92.52 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.566 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.1 tm-20 -63.26 -40.25 96.89 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.427 0.632 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 109' ' ' LYS . 93.1 t -65.4 -49.41 78.63 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.404 -0.81 . . . . 0.0 110.158 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.726 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.3 OUTLIER -66.6 -33.23 75.2 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.102 -0.999 . . . . 0.0 109.012 179.809 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.76 97.91 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.355 -0.84 . . . . 0.0 109.715 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.653 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -63.36 -39.0 93.33 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.109 -0.995 . . . . 0.0 109.509 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.2 t-20 -60.74 -38.02 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.29 -0.881 . . . . 0.0 109.236 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 0.7 OUTLIER 167.42 106.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.474 -0.766 . . . . 0.0 109.105 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.04 -35.35 71.18 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.193 -0.942 . . . . 0.0 108.999 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 44.4 p -83.09 2.93 32.73 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.74 97.89 0.06 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -123.72 153.53 40.75 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.584 -0.951 . . . . 0.0 109.062 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.659 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.1 mp -54.65 -36.37 64.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.107 -0.996 . . . . 0.0 109.297 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.95 -32.92 71.25 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.256 -0.903 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 -27.51 59.62 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.3 -0.875 . . . . 0.0 110.246 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' B' ' 168' ' ' ASP . 52.2 mt -98.36 135.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.333 -0.855 . . . . 0.0 108.896 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . 0.702 ' O ' HD12 ' B' ' 171' ' ' LEU . 23.1 m -57.04 74.85 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.1 t0 -63.85 -36.47 84.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 110.793 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.89 -49.01 76.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.121 -0.987 . . . . 0.0 111.62 -177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 67.2 tt0 -71.54 -44.65 64.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.789 -1.195 . . . . 0.0 109.706 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . 0.702 HD12 ' O ' ' B' ' 167' ' ' SER . 15.1 mt -61.26 -38.53 87.05 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.704 -0.623 . . . . 0.0 110.021 -178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.578 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 96.4 m-20 -65.45 -43.22 91.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.205 -0.934 . . . . 0.0 110.63 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.03 -41.03 82.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.189 -0.944 . . . . 0.0 110.401 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.03 -30.16 70.64 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.072 -1.017 . . . . 0.0 109.757 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 1.016 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -65.52 -42.86 91.55 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.226 -0.922 . . . . 0.0 110.674 -179.423 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -63.32 -42.96 99.05 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 120.948 -1.095 . . . . 0.0 109.126 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.78 63.33 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.101 -0.999 . . . . 0.0 108.834 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 162' ' ' ALA . 24.1 tp -61.88 -37.51 84.84 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.403 -0.811 . . . . 0.0 109.577 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.592 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.77 -40.33 79.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.122 -0.986 . . . . 0.0 108.624 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.99 -31.83 71.42 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.528 -0.733 . . . . 0.0 109.249 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.58 -43.22 99.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.315 -0.866 . . . . 0.0 110.575 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -93.36 -27.99 16.44 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.019 -1.051 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.82 172.24 12.55 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.433 ' O ' HG22 ' B' ' 184' ' ' THR . 1.0 OUTLIER -109.39 118.52 36.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.317 -0.864 . . . . 0.0 109.318 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.424 ' N ' HD12 ' B' ' 185' ' ' LEU . 5.2 mp -91.7 139.87 24.98 Favored Pre-proline 0 C--N 1.299 -1.599 0 O-C-N 121.382 -0.824 . . . . 0.0 109.178 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.492 1.396 0 C-N-CA 122.158 1.905 . . . . 0.0 112.214 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.23 -36.75 80.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.291 -0.881 . . . . 0.0 109.383 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -60.66 -37.08 80.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.264 -0.898 . . . . 0.0 109.342 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 8' ' ' VAL . 19.3 t-20 -60.29 -38.28 83.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.384 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.623 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.27 -39.56 93.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -44.37 88.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.976 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.506 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 49.1 ttt-85 -59.79 -40.83 89.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.221 -0.925 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.578 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.2 t -60.66 -40.01 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' NZ ' ' A' ' 13' ' ' LYS . 74.3 t -62.25 -47.49 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.34 -0.85 . . . . 0.0 109.137 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.38 -41.37 80.69 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.301 -0.874 . . . . 0.0 108.655 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.506 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 63.5 m -61.95 -38.88 90.18 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.86 -39.68 78.37 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.543 ' NZ ' HG12 ' A' ' 9' ' ' VAL . 51.7 mttp -61.19 -30.89 70.69 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.41 -0.806 . . . . 0.0 109.042 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -60.63 -40.75 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.432 -0.793 . . . . 0.0 109.497 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 23' ' ' ILE . 76.7 m-85 -63.61 -38.42 91.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.367 -0.833 . . . . 0.0 109.5 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.93 -39.75 90.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.091 -1.006 . . . . 0.0 108.964 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -60.54 -32.67 71.7 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 0.0 109.262 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -86.75 -7.94 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.326 -0.859 . . . . 0.0 109.762 -179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.88 4.99 63.03 Favored Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.45 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 20' ' ' LEU . 59.4 mt -94.1 57.62 2.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.102 -1.234 . . . . 0.0 109.342 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.15 -33.46 69.91 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 mm -57.95 -43.44 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.082 -1.246 . . . . 0.0 109.552 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG21 ' CE2' ' A' ' 15' ' ' PHE . 33.9 mm -67.65 -47.9 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.011 -1.055 . . . . 0.0 108.866 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 -32.56 80.71 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 86.3 t80 -58.68 -48.11 82.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.369 -1.077 . . . . 0.0 109.895 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 31.3 m-85 -67.3 -35.77 80.15 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.195 -0.941 . . . . 0.0 109.988 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.94 -40.6 96.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.055 -1.028 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.495 HE22 HG21 ' A' ' 55' ' ' THR . 96.2 mt-30 -61.08 -40.17 92.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.989 -1.069 . . . . 0.0 108.875 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.5 -39.25 93.44 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.786 ' CE1' HD11 ' A' ' 34' ' ' LEU . 47.9 t80 -64.79 -43.84 91.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.543 -0.723 . . . . 0.0 110.344 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.88 85.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.124 -0.985 . . . . 0.0 110.286 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.33 -48.06 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 110.475 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 96.8 mt-10 -64.57 -31.81 73.19 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.801 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.45 -47.15 87.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.24 -0.912 . . . . 0.0 109.834 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.1 mt -63.71 -46.23 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.574 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.66 -37.79 88.66 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.407 -0.808 . . . . 0.0 109.5 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.7 p -68.39 -13.52 62.34 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -86.71 124.24 32.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.542 -0.724 . . . . 0.0 109.44 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.85 -36.16 81.68 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.347 -0.846 . . . . 0.0 109.801 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -89.56 125.72 35.32 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -137.66 142.15 41.15 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' A' ' 45' ' ' MET . 30.3 t -110.16 158.22 18.57 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -52.91 -34.55 55.63 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.863 -1.148 . . . . 0.0 108.389 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.26 -41.84 72.93 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.379 -0.825 . . . . 0.0 109.782 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.46 ' HB2' ' H ' ' A' ' 42' ' ' SER . 87.7 mtp -70.91 -40.89 71.89 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.006 -1.058 . . . . 0.0 109.806 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -62.53 -42.4 99.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 109.559 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.34 -33.88 76.17 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.421 -0.799 . . . . 0.0 109.926 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.26 -39.97 94.63 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.304 -0.872 . . . . 0.0 109.763 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.13 90.43 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.17 -0.957 . . . . 0.0 109.463 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 m -60.38 -45.65 92.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.422 -0.799 . . . . 0.0 110.412 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.18 -38.32 76.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.851 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.8 mt -64.1 -38.37 90.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.154 -0.966 . . . . 0.0 109.938 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.8 mt -58.76 -39.59 81.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.971 -1.08 . . . . 0.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.95 -43.06 99.82 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.28 -0.888 . . . . 0.0 109.279 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.495 HG21 HE22 ' A' ' 28' ' ' GLN . 58.2 m -66.88 -46.7 74.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.709 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 52' ' ' LEU . 1.2 mt -60.08 -48.73 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.401 -0.812 . . . . 0.0 109.334 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.12 -39.36 94.47 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.236 -0.915 . . . . 0.0 108.994 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.51 81.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.341 -0.849 . . . . 0.0 108.952 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.678 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 61.5 t80 -65.08 -48.69 72.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.394 -0.817 . . . . 0.0 109.514 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 64' ' ' GLY . 43.1 tttt -64.2 -39.56 94.25 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.355 -0.841 . . . . 0.0 109.023 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -63.15 -33.66 75.95 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.79 -31.45 68.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.757 . . . . 0.0 109.038 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.654 ' O ' HG22 ' A' ' 63' ' ' ILE . 74.2 mt -123.77 9.43 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.523 -0.736 . . . . 0.0 109.763 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.49 -37.8 61.39 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.68 2.96 64.73 Favored Glycine 0 N--CA 1.489 2.206 0 O-C-N 121.196 -1.179 . . . . 0.0 110.163 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.11 -36.94 81.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.005 -1.291 . . . . 0.0 109.026 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.92 -29.64 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.63 -30.44 71.55 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.57 -39.18 83.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.461 -0.774 . . . . 0.0 109.366 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.73 -43.49 85.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.015 -1.053 . . . . 0.0 108.449 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -64.8 -38.69 91.84 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.8 t -158.76 98.72 1.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 60.7 t0 -98.09 7.2 46.66 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.58 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -97.7 -75.79 0.54 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.199 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.6 p -67.07 -39.69 86.88 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.371 -0.831 . . . . 0.0 111.325 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 63' ' ' ILE . 34.5 tp -67.4 -35.71 79.83 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.798 -1.189 . . . . 0.0 109.998 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 52.3 t-80 -59.46 -45.2 92.29 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.147 -0.97 . . . . 0.0 109.53 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.58 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.8 -42.15 94.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.189 -0.945 . . . . 0.0 108.636 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.454 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 9.4 ttt -58.32 -36.53 73.52 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -60.37 -32.82 71.66 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 178.588 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -56.8 -37.52 71.29 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 65.6 mt -60.19 -40.64 90.77 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.488 -0.758 . . . . 0.0 109.477 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.1 mt -86.07 -45.4 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.206 -0.934 . . . . 0.0 111.284 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.474 ' CD2' ' OD1' ' A' ' 80' ' ' ASN . 86.9 m-70 -74.17 -47.72 33.9 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.317 -0.865 . . . . 0.0 111.26 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -81.26 101.32 9.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.802 -1.186 . . . . 0.0 109.636 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.6 -37.06 86.25 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 110.468 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -47.69 84.16 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.184 -0.948 . . . . 0.0 110.44 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.794 ' HZ1' HD13 ' B' ' 130' ' ' ILE . 59.1 tttm -66.04 -43.01 88.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.122 -0.986 . . . . 0.0 109.166 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.25 -37.95 89.32 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.423 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -55.13 -45.2 75.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.503 -0.748 . . . . 0.0 110.159 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 91' ' ' ILE . 54.5 mt -65.21 -41.75 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.032 -1.042 . . . . 0.0 109.37 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.587 ' CE2' ' OE1' ' B' ' 134' ' ' GLN . 63.0 t80 -64.26 -42.95 96.23 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.255 -0.903 . . . . 0.0 109.737 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.9 tpt -62.62 -40.43 96.95 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.282 -0.886 . . . . 0.0 109.784 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.86 -40.14 91.78 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.493 ' O ' ' OG ' ' A' ' 99' ' ' SER . 1.2 t30 -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.205 -0.935 . . . . 0.0 109.686 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -62.93 -47.78 81.79 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.301 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.751 ' OG1' HD11 ' A' ' 131' ' ' ILE . 58.8 m -63.23 -46.12 88.44 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.1 mmm -66.03 -38.18 87.74 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 121.191 -0.943 . . . . 0.0 109.634 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 95' ' ' ASN . 40.2 m -61.18 -46.15 91.67 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.148 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.629 HD11 ' HZ1' ' A' ' 104' ' ' LYS . 59.8 tp -66.72 -44.69 80.92 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.874 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.4 t80 -61.36 -42.57 98.91 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.657 -0.652 . . . . 0.0 109.496 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -61.0 -38.39 85.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.345 -0.847 . . . . 0.0 109.642 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -42.05 99.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.277 -0.889 . . . . 0.0 109.902 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HZ1' HD11 ' A' ' 100' ' ' LEU . 14.3 mmtm -63.53 -45.07 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.216 -0.928 . . . . 0.0 109.587 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.874 HD11 ' CE2' ' A' ' 101' ' ' TYR . 61.4 mt -65.74 -36.99 85.14 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.25 -0.906 . . . . 0.0 108.844 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -61.32 -46.04 91.92 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.1 mm-40 -63.01 -36.68 84.35 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 157' ' ' TYR . 8.8 tp -58.86 -32.93 69.9 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.626 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 15.5 tttt -58.91 -40.6 85.0 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.659 -0.651 . . . . 0.0 110.081 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.487 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.27 -8.46 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.123 -0.986 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -64.58 157.42 44.88 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -62.9 139.39 73.77 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.782 2.321 . . . . 0.0 112.368 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.427 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.5 m-90 -105.95 134.56 48.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.412 -0.805 . . . . 0.0 108.873 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -154.47 173.1 16.73 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.042 -1.037 . . . . 0.0 110.513 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.2 t -55.67 -38.26 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.717 -0.614 . . . . 0.0 109.486 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 ttp -56.17 -42.69 77.45 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.888 -1.132 . . . . 0.0 108.939 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.3 tp -62.44 -36.47 82.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.279 -0.888 . . . . 0.0 109.002 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.585 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 83.9 tttt -57.49 -47.39 82.03 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.426 -0.796 . . . . 0.0 110.255 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -67.41 -39.2 85.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.375 -0.828 . . . . 0.0 110.002 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.1 p -65.44 -35.04 79.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.2 -0.937 . . . . 0.0 109.915 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 121' ' ' LEU . 76.0 mt -63.32 -41.02 98.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.4 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.869 ' NE1' HD21 ' A' ' 158' ' ' LEU . 51.0 m95 -63.18 -36.54 83.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.277 -0.889 . . . . 0.0 108.858 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -41.99 98.76 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.572 -0.705 . . . . 0.0 109.754 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -39.99 94.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.484 HG23 HG23 ' A' ' 151' ' ' ILE . 92.6 mt -57.7 -42.38 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.301 -0.874 . . . . 0.0 109.979 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -61.46 -40.51 94.76 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.197 -0.939 . . . . 0.0 109.847 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.18 -39.28 94.2 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.274 -0.891 . . . . 0.0 110.417 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.694 ' HB3' HD11 ' A' ' 151' ' ' ILE . 21.7 m-85 -64.6 -42.82 95.3 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.047 -1.033 . . . . 0.0 110.524 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -65.04 -31.68 73.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 109.995 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.91 76.84 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.136 -0.977 . . . . 0.0 109.774 -179.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.751 HD11 ' OG1' ' A' ' 97' ' ' THR . 93.5 mt -59.47 -45.29 93.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.062 -1.024 . . . . 0.0 110.137 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 147' ' ' LEU . 90.4 mt -70.48 -44.12 68.37 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.096 -1.003 . . . . 0.0 110.205 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.597 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 12.1 t60 -67.58 -45.15 76.38 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.468 -0.77 . . . . 0.0 111.154 -178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 130' ' ' CYS . 88.6 mt -61.43 -33.01 73.0 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.2 -0.937 . . . . 0.0 111.414 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -136.41 57.75 1.76 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.891 -1.131 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -62.06 -39.44 92.39 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.994 -1.066 . . . . 0.0 109.463 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -69.68 -27.55 65.1 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.434 -0.791 . . . . 0.0 111.759 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.423 HD22 ' HE2' ' A' ' 90' ' ' LYS . 9.3 t30 -92.01 2.47 56.53 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.622 -1.299 . . . . 0.0 110.91 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.422 HD13 HD23 ' A' ' 132' ' ' LEU . 74.4 mt -116.88 129.65 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.185 -0.947 . . . . 0.0 109.17 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.4 m -70.6 159.73 33.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.916 . . . . 0.0 109.679 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.16 -38.97 92.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.356 -0.84 . . . . 0.0 109.734 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 48.4 m -63.92 -45.77 87.78 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.451 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 26.6 t -63.19 -37.32 86.78 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.343 -0.848 . . . . 0.0 109.22 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.456 HG23 HD22 ' A' ' 132' ' ' LEU . 39.5 m -60.35 -41.42 93.61 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.71 -39.52 81.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.282 -0.886 . . . . 0.0 109.859 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.535 ' O ' ' NH1' ' A' ' 150' ' ' ARG . 22.7 t -62.0 -43.22 99.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.12 -0.987 . . . . 0.0 109.609 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 132' ' ' LEU . 84.8 mt -65.86 -41.36 91.74 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.413 -0.804 . . . . 0.0 109.948 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.09 -37.19 81.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -62.35 -41.06 98.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.259 -0.901 . . . . 0.0 109.179 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.535 ' NH1' ' O ' ' A' ' 146' ' ' SER . 67.8 mtt85 -61.14 -41.72 97.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.934 . . . . 0.0 109.152 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.694 HD11 ' HB3' ' A' ' 128' ' ' PHE . 76.4 mt -64.33 -41.85 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.589 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 10.3 mmtt -61.06 -39.39 89.65 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.686 -0.634 . . . . 0.0 109.657 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.506 ' CZ ' ' CE2' ' A' ' 157' ' ' TYR . 46.1 t80 -57.88 -43.67 86.22 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.51 -0.744 . . . . 0.0 109.111 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.3 m -65.46 -41.1 93.75 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.279 -0.888 . . . . 0.0 108.859 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -58.49 -43.91 89.19 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.388 -0.82 . . . . 0.0 109.68 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.52 -50.64 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.249 -0.907 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.808 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.1 m-85 -66.68 -35.76 80.9 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.378 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.869 HD21 ' NE1' ' A' ' 122' ' ' TRP . 34.8 tp -60.12 -38.3 82.6 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.129 -0.982 . . . . 0.0 108.532 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.1 m -66.65 -45.82 77.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.367 -0.833 . . . . 0.0 109.255 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -61.5 -38.67 88.18 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.617 -0.677 . . . . 0.0 109.609 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.538 HD23 ' HB ' ' A' ' 166' ' ' ILE . 19.9 mt -63.64 -41.52 98.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.284 -0.885 . . . . 0.0 109.705 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.37 61.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' B' ' 174' ' ' GLU . 12.7 mtpt -84.29 -3.37 58.19 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.302 -0.874 . . . . 0.0 109.787 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.16 12.36 84.69 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -75.11 -29.13 60.49 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.232 -1.158 . . . . 0.0 109.985 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.538 ' HB ' HD23 ' A' ' 161' ' ' LEU . 21.6 mm -106.42 133.2 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.162 -0.961 . . . . 0.0 109.239 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 CA-C-O 117.933 -1.481 . . . . 0.0 109.54 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.909 HG23 ' H ' ' B' ' 129' ' ' ASN . 16.4 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.909 ' H ' HG23 ' B' ' 128' ' ' ILE . 19.2 m120 -75.36 18.99 0.18 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.489 -1.382 . . . . 0.0 108.073 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.794 HD13 ' HZ1' ' A' ' 88' ' ' LYS . 20.5 tt -69.69 -43.36 80.21 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.578 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.4 m-20 -69.11 -41.81 76.92 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.428 ' HD2' HD22 ' B' ' 129' ' ' ASN . 77.0 mttt -65.84 -46.31 79.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.45 -46.23 84.03 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.745 0.783 . . . . 0.0 109.415 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.587 ' OE1' ' CE2' ' A' ' 92' ' ' TYR . 2.1 tp-100 -63.28 -40.73 98.21 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.819 -0.551 . . . . 0.0 110.046 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' B' ' 131' ' ' ASP . 53.0 p30 -172.82 165.61 5.24 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.069 -1.019 . . . . 0.0 110.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . . . . . . . . . 70.9 mtm -60.65 -33.23 72.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.438 -0.789 . . . . 0.0 109.484 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.59 ' HG3' HD11 ' B' ' 143' ' ' LEU . 89.2 mm-40 -59.9 155.42 16.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.271 -0.893 . . . . 0.0 109.446 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -91.38 -111.99 0.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -0.922 . . . . 0.0 110.581 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -59.26 142.54 51.65 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.341 -0.849 . . . . 0.0 110.749 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 55.3 mtt -60.9 -37.04 80.85 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-O 122.004 0.907 . . . . 0.0 109.074 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 68.8 mt -56.58 -33.07 65.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.223 -0.923 . . . . 0.0 109.204 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.65 -36.87 77.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.183 -0.948 . . . . 0.0 108.694 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.621 ' N ' HD22 ' B' ' 143' ' ' LEU . 3.7 mm? -60.75 -31.14 70.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.237 -0.914 . . . . 0.0 108.65 179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.88 -31.98 54.47 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -57.7 -38.97 76.13 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -59.42 -35.8 74.66 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.28 -32.29 80.22 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 107.999 -2.04 . . . . 0.0 107.999 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -55.78 -38.7 70.27 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.96 -34.0 72.68 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.701 HD23 ' O ' ' B' ' 150' ' ' LEU . 6.1 tt -55.0 -43.03 73.23 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.54 -39.82 92.45 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.344 -0.848 . . . . 0.0 109.254 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.567 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.2 tm-20 -61.77 -38.55 88.44 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.495 -0.753 . . . . 0.0 109.683 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.42 HG13 ' HB2' ' A' ' 109' ' ' LYS . 33.2 t -65.46 -50.18 73.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.162 -0.961 . . . . 0.0 110.216 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 154' ' ' LEU . 1.5 mm? -66.26 -33.33 75.5 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.134 -0.979 . . . . 0.0 109.267 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.63 -43.21 99.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.287 -0.883 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.626 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 87.1 mtp -66.45 -38.64 87.8 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 109.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' B' ' 158' ' ' ASN . 19.1 t-20 -60.67 -38.25 84.29 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.326 -0.859 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' B' ' 157' ' ' ASN . 5.8 m-20 170.5 107.31 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.371 -0.831 . . . . 0.0 109.277 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -57.85 -35.23 70.64 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.792 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 45.9 p -85.21 2.84 42.06 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.63 97.99 0.06 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -126.36 154.3 43.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.597 -0.943 . . . . 0.0 109.089 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.715 ' H ' HD12 ' B' ' 163' ' ' LEU . 6.7 mp -55.0 -34.05 63.11 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.169 -0.957 . . . . 0.0 109.464 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.58 -32.97 70.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.374 -0.829 . . . . 0.0 109.73 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.48 -22.91 56.84 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.3 -0.875 . . . . 0.0 109.908 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' B' ' 168' ' ' ASP . 37.6 mt -102.68 134.29 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.227 -0.92 . . . . 0.0 108.989 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 13.6 t -59.67 70.59 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.415 -0.803 . . . . 0.0 110.168 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.593 ' N ' ' O ' ' B' ' 166' ' ' ILE . 55.1 t0 -64.04 -38.17 90.1 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.278 -0.889 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -62.5 -48.91 77.49 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.981 -1.074 . . . . 0.0 111.333 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.3 -42.71 68.33 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.883 -1.136 . . . . 0.0 109.841 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.39 -38.25 90.42 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.59 -0.694 . . . . 0.0 110.235 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.589 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 88.0 m-20 -60.96 -42.47 98.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.185 -0.947 . . . . 0.0 110.67 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.68 89.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.053 -1.029 . . . . 0.0 110.199 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.5 ' OE1' ' NZ ' ' A' ' 163' ' ' LYS . 96.9 mt-10 -67.77 -37.26 81.84 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.177 -0.952 . . . . 0.0 110.31 -179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.514 HD11 HD23 ' A' ' 158' ' ' LEU . 17.1 tp -68.1 -37.08 80.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.04 -1.037 . . . . 0.0 110.553 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -62.71 -39.68 94.79 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.003 -1.06 . . . . 0.0 109.123 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -72.44 -42.95 64.45 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.104 -0.998 . . . . 0.0 108.344 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.458 HD21 ' NZ ' ' A' ' 118' ' ' LYS . 15.2 tp -65.12 -38.38 90.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.556 -0.715 . . . . 0.0 109.651 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -54.83 -41.68 71.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.216 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . 0.404 ' O ' HD21 ' B' ' 185' ' ' LEU . 26.3 mt-30 -61.28 -36.32 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 108.995 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.44 ' OE1' ' CG ' ' B' ' 182' ' ' ASP . 3.2 tm-20 -67.58 -46.37 72.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.385 -0.822 . . . . 0.0 109.95 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.585 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 47.5 m-20 -70.74 -36.22 73.04 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.419 -0.801 . . . . 0.0 109.761 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -86.68 170.26 11.95 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.268 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.95 121.57 45.54 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.457 -0.777 . . . . 0.0 109.23 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.831 ' N ' HD22 ' B' ' 185' ' ' LEU . 1.5 mm? -91.28 138.03 25.88 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.31 -0.869 . . . . 0.0 108.844 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo . . . . . 0 N--CA 1.493 1.447 0 C-N-CA 122.154 1.903 . . . . 0.0 112.305 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.346 0.593 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.73 77.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 0.0 109.44 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m -60.36 -37.07 79.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.406 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 86.6 m-20 -60.44 -36.69 78.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.244 -0.91 . . . . 0.0 109.443 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.656 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.07 -39.43 92.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.355 -0.841 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.9 -45.08 90.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.928 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.539 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 45.2 ttt-85 -59.83 -41.02 90.44 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.116 -0.99 . . . . 0.0 109.225 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG11 ' HD2' ' A' ' 30' ' ' TYR . 99.3 t -60.64 -40.09 83.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.07 -47.36 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.0 -42.91 80.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 108.641 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.539 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 51.7 m -61.29 -38.33 86.41 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.02 81.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 108.717 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.54 -33.1 72.17 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.141 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -60.5 -38.7 85.2 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.385 -0.822 . . . . 0.0 108.977 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.827 ' CE2' HG21 ' A' ' 23' ' ' ILE . 54.8 m-85 -62.88 -42.33 99.73 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.257 -0.902 . . . . 0.0 108.818 179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.23 -41.57 97.11 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -62.19 -28.64 69.81 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -86.75 -11.35 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.648 -0.658 . . . . 0.0 109.492 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.15 4.7 62.76 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' H ' HG12 ' A' ' 18' ' ' VAL . 93.1 mt -101.69 72.44 1.38 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.035 -1.273 . . . . 0.0 109.226 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.95 -32.87 85.62 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.855 HD12 HE22 ' B' ' 134' ' ' GLN . 75.6 mt -57.45 -43.24 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.991 -1.3 . . . . 0.0 109.93 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.827 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.6 mm -66.57 -47.46 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.0 108.791 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.01 -32.77 83.38 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 87.1 t80 -58.77 -48.9 79.63 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.416 -1.049 . . . . 0.0 109.793 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 89' ' ' ALA . 40.0 m-85 -67.34 -36.73 82.02 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 110.029 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 27' ' ' LEU . 92.2 mt -63.91 -40.91 97.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.043 -1.035 . . . . 0.0 110.083 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.547 HE22 HG21 ' A' ' 55' ' ' THR . 96.9 mt-30 -61.03 -39.97 91.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.958 -1.089 . . . . 0.0 108.539 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.13 -39.02 92.45 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.772 ' CE1' HD11 ' A' ' 34' ' ' LEU . 68.1 t80 -65.07 -45.6 84.63 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.655 -0.653 . . . . 0.0 110.299 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.82 88.89 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.111 -0.993 . . . . 0.0 109.977 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.09 -47.85 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.953 . . . . 0.0 110.201 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.582 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.0 mt-10 -64.54 -32.84 74.65 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.363 -0.835 . . . . 0.0 109.749 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.772 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.4 mp -61.4 -46.35 90.51 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.279 -0.888 . . . . 0.0 109.651 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.54 -46.38 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.355 -0.841 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.47 -38.72 92.01 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.364 -0.835 . . . . 0.0 109.523 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.7 t -68.63 -10.75 57.99 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -92.88 126.07 37.78 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.373 -0.829 . . . . 0.0 109.485 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.91 -35.21 79.48 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.237 -0.914 . . . . 0.0 109.791 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -85.63 125.63 33.29 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 110.045 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -142.09 143.95 33.31 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.331 -0.856 . . . . 0.0 109.637 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 45' ' ' MET . 48.8 m -114.16 158.89 20.72 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -52.85 -34.3 53.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.862 -1.148 . . . . 0.0 108.45 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -69.97 -44.06 70.23 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.283 -0.885 . . . . 0.0 109.799 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.454 ' HB2' ' H ' ' A' ' 42' ' ' SER . 88.1 mtp -69.01 -40.91 78.4 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.02 -1.05 . . . . 0.0 109.825 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -62.92 -42.6 99.85 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.0 109.633 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.17 78.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -0.821 . . . . 0.0 109.952 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.0 tp -62.27 -40.34 95.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -0.938 . . . . 0.0 109.747 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.62 -39.56 88.39 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.124 -0.985 . . . . 0.0 109.675 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -61.45 -45.78 92.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.389 -0.82 . . . . 0.0 110.504 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -38.12 74.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.141 -0.975 . . . . 0.0 109.735 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 56' ' ' ILE . 94.1 mt -64.06 -36.73 84.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.214 -0.929 . . . . 0.0 109.931 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.22 -39.01 77.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.057 -1.027 . . . . 0.0 109.173 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -62.16 -43.37 98.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.237 -0.914 . . . . 0.0 109.38 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.547 HG21 HE22 ' A' ' 28' ' ' GLN . 46.7 m -68.42 -47.49 67.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.183 -0.948 . . . . 0.0 109.918 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 52' ' ' LEU . 3.1 mt -60.76 -48.46 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.281 -0.887 . . . . 0.0 109.774 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.92 -40.41 91.41 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.037 -1.039 . . . . 0.0 109.225 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.29 80.39 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.26 -0.9 . . . . 0.0 108.938 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 62.5 t80 -61.86 -47.17 86.2 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.502 -0.749 . . . . 0.0 110.127 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.592 ' O ' ' N ' ' A' ' 64' ' ' GLY . 39.5 tttt -62.44 -42.01 99.14 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.186 -0.946 . . . . 0.0 109.706 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -63.31 -33.16 74.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 108.684 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.2 -31.06 66.96 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.654 ' O ' HG22 ' A' ' 63' ' ' ILE . 70.7 mt -123.76 7.83 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.584 -0.697 . . . . 0.0 109.774 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -54.66 -37.87 62.38 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.63 1.56 63.79 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.54 -37.76 73.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.907 -1.349 . . . . 0.0 108.958 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -135.21 -29.73 1.08 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.17 -31.45 72.6 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.89 -35.69 77.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.388 -0.82 . . . . 0.0 109.24 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -58.4 -42.9 88.16 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.049 -1.032 . . . . 0.0 108.505 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -65.24 -39.4 92.66 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -158.79 95.49 1.3 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 73' ' ' ASP . 53.5 p30 -93.81 6.85 47.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.205 -0.934 . . . . 0.0 109.689 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -95.87 -75.36 0.53 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.16 -0.962 . . . . 0.0 110.004 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 91.9 p -67.32 -40.26 85.95 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.411 -0.806 . . . . 0.0 111.39 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.51 HD11 HG23 ' A' ' 63' ' ' ILE . 31.4 tp -68.41 -34.98 76.98 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.486 -1.384 . . . . 0.0 109.779 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.571 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 83.6 t60 -60.02 -45.06 94.01 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.235 -0.916 . . . . 0.0 109.584 -179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.12 -42.04 94.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.125 -0.984 . . . . 0.0 108.392 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.838 ' HE2' HD11 ' A' ' 22' ' ' ILE . 9.6 ttt -58.84 -36.48 74.63 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.692 ' ND2' ' N ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -60.42 -32.83 71.73 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.692 ' N ' ' ND2' ' A' ' 80' ' ' ASN . 29.0 m -57.15 -37.52 72.17 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 57.4 mt -60.08 -40.8 90.81 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.42 -0.8 . . . . 0.0 109.443 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 25' ' ' TYR . 89.5 mt -85.06 -45.78 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.135 -0.978 . . . . 0.0 111.077 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.574 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 93.5 m-70 -72.82 -46.76 51.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.34 -0.85 . . . . 0.0 111.138 -178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -83.15 99.12 9.72 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.903 -1.123 . . . . 0.0 109.613 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 8.7 mp0 -64.53 -35.98 82.72 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 110.21 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.81 -47.68 84.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.155 -0.966 . . . . 0.0 110.158 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' NZ ' HD13 ' B' ' 130' ' ' ILE . 61.2 tttm -66.32 -41.74 89.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 109.048 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.443 -0.786 . . . . 0.0 108.894 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -53.89 -44.72 70.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.49 -0.756 . . . . 0.0 109.684 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.467 HG22 ' OD1' ' A' ' 95' ' ' ASN . 82.4 mt -65.05 -40.07 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.161 -0.962 . . . . 0.0 109.694 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -65.72 -43.86 87.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.095 -1.003 . . . . 0.0 109.638 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -62.15 -41.15 98.0 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.12 -0.987 . . . . 0.0 108.509 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.4 tp -65.56 -42.2 92.11 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.475 HD21 ' CG1' ' B' ' 144' ' ' ILE . 20.9 m120 -62.88 -43.24 99.33 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.276 -0.89 . . . . 0.0 109.37 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -66.16 -48.88 69.31 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.296 -0.878 . . . . 0.0 108.888 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 127' ' ' LEU . 57.7 m -61.65 -44.41 97.02 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.388 -0.82 . . . . 0.0 109.002 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.0 -38.1 89.86 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.358 -0.839 . . . . 0.0 109.443 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.7 t -62.77 -47.08 85.07 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 109.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 45.4 tp -67.36 -45.06 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.16 -0.963 . . . . 0.0 108.555 179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.884 ' CZ ' HD11 ' A' ' 105' ' ' LEU . 27.6 t80 -63.58 -39.55 94.67 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.594 -0.691 . . . . 0.0 109.468 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.503 ' HA ' HD23 ' B' ' 150' ' ' LEU . 59.6 t-20 -62.39 -41.3 98.55 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 110.547 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.99 -39.45 93.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 110.027 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.504 ' HB3' HD21 ' A' ' 121' ' ' LEU . 30.9 mmtm -62.7 -44.9 95.06 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.101 -1.0 . . . . 0.0 110.093 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.958 HD12 HD21 ' B' ' 150' ' ' LEU . 23.9 mt -67.99 -35.79 78.93 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.938 -1.101 . . . . 0.0 108.545 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 11.0 tttp -59.59 -42.11 91.82 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.574 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.7 mt-30 -61.98 -36.47 81.57 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 157' ' ' TYR . 4.4 tp -57.93 -33.86 69.26 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 57.7 tttt -59.35 -45.03 92.5 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.758 -0.588 . . . . 0.0 110.223 -179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.499 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 66.0 m-20 -161.98 -1.42 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.169 -0.957 . . . . 0.0 111.132 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -74.04 158.07 51.76 Favored Glycine 0 N--CA 1.495 2.572 0 O-C-N 120.688 -1.258 . . . . 0.0 110.125 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.4 140.33 69.36 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.492 ' CZ3' ' OXT' ' A' ' 167' ' ' GLY . 3.5 m-90 -106.1 135.46 47.53 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.381 -0.825 . . . . 0.0 109.299 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -157.25 172.31 18.85 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.089 -1.007 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 62.3 t -55.62 -38.2 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.679 -0.638 . . . . 0.0 109.433 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.2 ttm -54.78 -42.62 71.96 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.971 -1.081 . . . . 0.0 108.903 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.574 HD13 ' OE1' ' A' ' 107' ' ' GLN . 36.8 tp -62.31 -36.81 83.3 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.273 -0.892 . . . . 0.0 109.042 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.522 ' HZ1' ' HB2' ' B' ' 182' ' ' ASP . 40.0 tttt -59.09 -47.31 85.73 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.49 -0.756 . . . . 0.0 110.26 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -65.45 -39.51 92.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.489 -0.757 . . . . 0.0 110.447 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.5 p -66.75 -35.28 79.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.171 -0.956 . . . . 0.0 109.877 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 104' ' ' LYS . 81.6 mt -64.31 -41.21 96.94 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.2 -0.938 . . . . 0.0 109.396 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.828 ' NE1' HD21 ' A' ' 158' ' ' LEU . 37.7 m95 -61.94 -36.89 82.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.241 -0.912 . . . . 0.0 108.655 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.461 ' SG ' ' NH1' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -66.49 -40.65 89.38 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.538 -0.726 . . . . 0.0 109.312 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 79.8 m -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.317 -0.864 . . . . 0.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.08 -42.12 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.912 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.224 -0.922 . . . . 0.0 109.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 97' ' ' THR . 74.4 mt -62.3 -40.43 96.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.4 -0.812 . . . . 0.0 110.329 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 151' ' ' ILE . 31.0 m-85 -65.31 -43.11 92.11 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.038 -1.039 . . . . 0.0 110.379 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.3 p -65.24 -31.15 72.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.03 -1.044 . . . . 0.0 109.822 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 134' ' ' LEU . 0.0 OUTLIER -69.1 -41.97 76.76 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.757 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.402 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 99.7 mt -59.41 -43.25 89.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.095 -1.003 . . . . 0.0 110.28 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.775 HD22 HG23 ' A' ' 144' ' ' THR . 81.4 mt -68.02 -44.79 75.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.108 -0.995 . . . . 0.0 110.225 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.582 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -68.0 -45.85 72.93 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.454 -0.779 . . . . 0.0 111.265 -178.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 130' ' ' CYS . 94.5 mt -61.4 -32.09 72.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.315 -0.866 . . . . 0.0 111.758 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -136.77 57.22 1.77 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.842 -1.161 . . . . 0.0 111.1 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -62.96 -38.93 93.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.972 -1.08 . . . . 0.0 109.295 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.57 -29.25 68.56 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.553 -0.717 . . . . 0.0 111.434 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.425 HD22 ' HE2' ' A' ' 90' ' ' LYS . 18.2 t30 -91.78 0.67 57.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.678 -1.264 . . . . 0.0 110.502 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 78.3 mt -118.66 125.92 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.337 -0.852 . . . . 0.0 109.305 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.5 m -70.97 160.24 33.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.242 -0.911 . . . . 0.0 109.364 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.34 -38.87 92.84 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.209 -0.932 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.7 m -65.79 -44.7 84.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.322 -0.861 . . . . 0.0 109.385 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.8 m -62.38 -38.62 90.3 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.33 -0.856 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.775 HG23 HD22 ' A' ' 132' ' ' LEU . 46.6 m -61.41 -39.03 89.26 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.316 -0.865 . . . . 0.0 109.298 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -57.48 -40.02 77.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.7 m -61.39 -41.53 97.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.764 HD12 HD21 ' A' ' 132' ' ' LEU . 82.2 mt -66.47 -41.17 89.42 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.365 -0.835 . . . . 0.0 109.453 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -61.04 -36.05 78.53 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.491 -0.755 . . . . 0.0 109.423 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.418 ' HZ1' ' CD ' ' B' ' 162' ' ' GLU . 45.1 tttp -61.38 -41.34 96.95 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.246 -0.909 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.555 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 67.1 mtt85 -61.53 -42.15 98.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.008 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 128' ' ' PHE . 80.9 mt -65.11 -39.87 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 3.2 mmtt -60.76 -42.48 97.5 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.568 -0.708 . . . . 0.0 109.559 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.617 ' CZ ' HD11 ' B' ' 154' ' ' LEU . 46.5 t80 -57.27 -43.41 83.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.555 ' SG ' ' O ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -64.86 -43.4 93.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -58.6 -43.96 89.71 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.364 -0.835 . . . . 0.0 109.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.4 ' O ' ' OG ' ' A' ' 159' ' ' SER . 92.7 mt -69.73 -50.41 49.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.124 -0.985 . . . . 0.0 110.768 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 108' ' ' LEU . 2.6 m-85 -66.82 -35.87 81.06 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 110.575 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.828 HD21 ' NE1' ' A' ' 122' ' ' TRP . 31.5 tp -60.28 -36.36 77.67 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.054 -1.028 . . . . 0.0 108.253 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 156' ' ' ILE . 85.3 p -69.43 -43.03 74.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.464 -0.772 . . . . 0.0 109.905 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.646 ' NZ ' HD11 ' A' ' 166' ' ' ILE . 8.1 mtpm? -63.01 -37.75 88.45 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.353 -0.842 . . . . 0.0 109.581 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.51 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.2 mt -63.49 -36.06 82.52 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.223 -0.923 . . . . 0.0 109.214 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.588 ' CB ' HD13 ' B' ' 178' ' ' LEU . . . -68.81 -31.28 70.16 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.422 -0.798 . . . . 0.0 110.73 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -86.3 -2.03 58.03 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.884 -1.135 . . . . 0.0 110.111 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.15 79.98 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.786 -1.326 . . . . 0.0 109.786 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -74.4 -28.52 61.12 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.202 -1.175 . . . . 0.0 109.229 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.646 HD11 ' NZ ' ' A' ' 160' ' ' LYS . 22.7 mm -107.83 133.45 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.349 -0.844 . . . . 0.0 109.08 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.492 ' OXT' ' CZ3' ' A' ' 113' ' ' TRP . . . . . . . . 0 N--CA 1.489 2.179 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.577 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' B' ' 130' ' ' ILE . 77.5 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.448 ' N ' HG22 ' B' ' 128' ' ' ILE . 22.1 m120 -75.36 20.21 0.16 Allowed 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.615 HD12 HG22 ' A' ' 78' ' ' VAL . 20.4 tt -65.26 -41.71 92.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.574 ' N ' HG23 ' B' ' 130' ' ' ILE . 89.0 m-20 -70.49 -42.8 70.89 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.545 -0.862 . . . . 0.0 108.904 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.6 -42.75 77.73 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.536 0.684 . . . . 0.0 109.796 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.26 -47.75 78.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.516 -0.74 . . . . 0.0 110.01 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.855 HE22 HD12 ' A' ' 22' ' ' ILE . 7.6 mm100 -74.07 -40.59 62.66 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.566 -0.709 . . . . 0.0 109.784 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.428 ' OD2' ' OE1' ' B' ' 137' ' ' GLN . 51.0 t0 -148.79 110.67 4.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.904 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.484 ' O ' ' C ' ' B' ' 137' ' ' GLN . 64.9 mtt -59.48 -32.87 70.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.233 -0.917 . . . . 0.0 109.713 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' B' ' 136' ' ' MET . 95.2 mt-30 -34.21 -77.47 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.692 -0.63 . . . . 0.0 110.777 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . 0.568 ' CG ' ' H ' ' B' ' 139' ' ' GLU . 43.3 t0 -172.8 -162.39 0.18 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.019 -1.051 . . . . 0.0 110.025 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.568 ' H ' ' CG ' ' B' ' 138' ' ' ASP . 95.9 mt-10 -54.21 150.46 8.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.301 -0.875 . . . . 0.0 110.307 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . . . . . . . . . 69.2 mtp -57.68 -45.0 86.2 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-O 121.839 0.828 . . . . 0.0 109.788 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.52 -33.72 75.47 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.125 -0.984 . . . . 0.0 108.586 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.7 -36.38 76.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.443 HD22 ' OE1' ' B' ' 137' ' ' GLN . 26.3 mt -57.24 -34.6 68.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . 0.475 ' CG1' HD21 ' A' ' 95' ' ' ASN . 55.4 mt -67.62 -31.11 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 119.367 -0.933 . . . . 0.0 108.492 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -56.21 -37.59 69.86 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -59.22 -36.02 74.68 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.15 -33.66 85.05 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -55.85 -39.12 71.0 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.976 -1.308 . . . . 0.0 107.643 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.515 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 81.0 tt0 -59.17 -33.4 70.88 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.958 HD21 HD12 ' A' ' 105' ' ' LEU . 1.6 tm? -54.55 -45.8 73.53 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.75 -40.65 93.21 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.33 -0.856 . . . . 0.0 108.998 178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.553 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 11.1 tm-20 -63.0 -40.18 96.98 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.384 -0.822 . . . . 0.0 109.748 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.68 -50.2 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.282 -0.886 . . . . 0.0 110.415 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.617 HD11 ' CZ ' ' A' ' 153' ' ' TYR . 3.0 mm? -66.53 -33.19 75.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.14 -0.975 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . 0.439 ' HB1' HD21 ' B' ' 159' ' ' ASN . . . -61.05 -41.43 96.57 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.318 -0.864 . . . . 0.0 109.555 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.662 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.6 mtp -64.19 -36.96 85.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.028 -1.045 . . . . 0.0 109.717 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.7 t-20 -60.37 -39.45 87.27 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.264 -0.897 . . . . 0.0 109.683 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 1.1 m120 163.38 108.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.396 -0.815 . . . . 0.0 109.134 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.439 HD21 ' HB1' ' B' ' 155' ' ' ALA . 24.9 m120 -58.28 -35.75 72.25 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.117 -0.99 . . . . 0.0 109.103 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 50.9 p -82.21 0.61 40.35 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -75.95 101.92 1.5 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' B' ' 163' ' ' LEU . 1.2 tm-20 -124.02 173.21 8.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.478 -1.013 . . . . 0.0 109.543 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.561 ' H ' ' CD ' ' B' ' 162' ' ' GLU . 6.8 mp -60.11 -36.2 76.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.295 -0.878 . . . . 0.0 109.183 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.98 -33.58 72.14 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.398 -0.814 . . . . 0.0 109.579 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.66 -20.6 58.34 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.602 ' O ' ' N ' ' B' ' 168' ' ' ASP . 34.1 mt -102.83 134.14 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 88.4 p -58.5 70.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.406 -0.809 . . . . 0.0 110.488 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.602 ' N ' ' O ' ' B' ' 166' ' ' ILE . 53.0 t0 -64.1 -37.81 88.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.147 -0.971 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.14 -49.25 75.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.046 -1.034 . . . . 0.0 111.346 -178.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 174' ' ' GLU . 0.8 OUTLIER -71.54 -43.58 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.901 -1.124 . . . . 0.0 109.579 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.1 -38.42 88.81 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.694 -0.628 . . . . 0.0 110.575 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 92.0 m-20 -61.68 -42.91 99.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.09 -1.006 . . . . 0.0 110.345 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.32 -38.94 85.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.062 -1.024 . . . . 0.0 109.723 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . 0.471 ' OE2' ' OE2' ' B' ' 170' ' ' GLU . 99.4 mt-10 -65.39 -38.39 89.87 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.346 -0.846 . . . . 0.0 110.419 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 0.488 HD21 HD23 ' A' ' 158' ' ' LEU . 18.5 tp -67.13 -34.87 78.53 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.904 -1.123 . . . . 0.0 110.51 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . 0.474 ' OD2' ' O ' ' B' ' 172' ' ' ASP . 28.3 m-20 -61.87 -36.85 82.48 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.098 -1.001 . . . . 0.0 108.64 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.47 68.88 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.122 -0.986 . . . . 0.0 108.565 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.588 HD13 ' CB ' ' A' ' 162' ' ' ALA . 96.1 mt -65.16 -36.7 85.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.509 -0.745 . . . . 0.0 110.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 122' ' ' TRP . . . -62.64 -38.36 89.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.081 -1.012 . . . . 0.0 110.004 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . 0.45 ' O ' HD21 ' B' ' 185' ' ' LEU . 7.1 tt0 -61.89 -42.5 99.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.125 -0.984 . . . . 0.0 110.24 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' B' ' 182' ' ' ASP . 2.9 pp20? -85.83 -33.42 21.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.183 -0.948 . . . . 0.0 110.036 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.551 ' N ' ' CD ' ' B' ' 181' ' ' GLU . 47.0 t0 -64.16 -33.73 76.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.913 . . . . 0.0 108.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -85.56 173.42 10.19 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.77 123.64 49.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.499 -0.751 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.842 ' N ' HD22 ' B' ' 185' ' ' LEU . 2.3 mm? -91.24 137.57 26.18 Favored Pre-proline 0 C--N 1.302 -1.482 0 O-C-N 121.369 -0.832 . . . . 0.0 108.845 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo . . . . . 0 N--CA 1.492 1.41 0 C-N-CA 122.156 1.904 . . . . 0.0 112.245 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.9 79.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -0.932 . . . . 0.0 109.522 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -61.17 -33.08 72.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.149 -0.97 . . . . 0.0 109.372 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 8' ' ' VAL . 20.0 t-20 -60.7 -38.58 85.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.274 -0.892 . . . . 0.0 109.209 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.592 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -62.15 -39.69 93.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.456 -0.777 . . . . 0.0 109.534 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.7 -44.54 89.94 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.278 -0.889 . . . . 0.0 110.03 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt-85 -59.87 -40.59 89.19 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.089 -1.007 . . . . 0.0 109.29 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.571 HG11 ' HD2' ' A' ' 30' ' ' TYR . 94.1 t -60.53 -39.91 82.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.11 -46.33 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 108.924 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.26 -42.63 79.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.272 -0.892 . . . . 0.0 108.671 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -61.2 -38.77 87.75 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.37 80.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 108.736 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -60.44 -31.34 70.32 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.372 -0.83 . . . . 0.0 108.991 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -60.76 -39.96 90.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.718 ' CE2' HG21 ' A' ' 23' ' ' ILE . 65.1 m-85 -63.45 -39.75 95.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.382 -0.824 . . . . 0.0 109.646 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.104 -0.998 . . . . 0.0 108.918 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -60.75 -33.63 73.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.424 -0.798 . . . . 0.0 109.162 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -87.08 -6.42 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.357 -0.839 . . . . 0.0 109.922 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.81 5.4 62.86 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 119.999 -1.096 . . . . 0.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 20' ' ' LEU . 47.1 mt -94.25 57.72 2.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.321 . . . . 0.0 109.433 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.46 -32.21 68.12 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.82 -43.22 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.078 -1.248 . . . . 0.0 109.507 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.718 HG21 ' CE2' ' A' ' 15' ' ' PHE . 34.5 mm -67.37 -46.71 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.999 -1.063 . . . . 0.0 108.86 179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.72 -32.58 79.37 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.687 ' CD1' ' CD1' ' A' ' 59' ' ' PHE . 76.7 t80 -58.78 -50.16 74.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.353 -1.087 . . . . 0.0 109.77 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 48.8 m-85 -67.67 -36.16 80.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.251 -0.906 . . . . 0.0 110.198 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 91.1 mt -63.06 -42.3 99.67 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.012 -1.055 . . . . 0.0 110.038 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -61.03 -39.45 89.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.935 -1.103 . . . . 0.0 108.384 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.47 -38.7 91.95 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.781 ' CE1' HD11 ' A' ' 34' ' ' LEU . 58.0 t80 -63.36 -44.37 95.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.3 -36.55 84.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.176 -0.953 . . . . 0.0 110.191 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.34 -49.27 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.116 -0.99 . . . . 0.0 110.179 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.591 ' OE1' ' NE2' ' A' ' 133' ' ' HIS . 97.2 mt-10 -65.52 -32.14 73.57 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.781 HD11 ' CE1' ' A' ' 30' ' ' TYR . 6.5 mp -61.52 -46.05 91.58 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.275 -0.89 . . . . 0.0 109.735 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.76 -42.32 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 36' ' ' LEU . 88.4 mt -63.4 -36.86 85.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.421 -0.8 . . . . 0.0 109.741 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -68.16 -11.05 58.52 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -91.98 123.63 35.48 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.312 -0.867 . . . . 0.0 109.42 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -67.78 -36.43 80.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.282 -0.886 . . . . 0.0 109.758 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -89.79 125.89 35.48 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.985 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -138.7 122.85 18.04 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.271 -0.893 . . . . 0.0 109.385 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.8 p -80.79 163.92 23.11 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -55.05 -36.46 65.57 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.898 -1.126 . . . . 0.0 108.631 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.98 -43.88 74.02 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.275 -0.891 . . . . 0.0 109.699 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.9 mtp -66.36 -40.06 89.54 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.066 -1.021 . . . . 0.0 109.572 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 38.6 m -63.39 -44.04 95.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.333 -0.854 . . . . 0.0 109.347 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.85 -34.29 75.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.519 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.38 -40.91 98.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.631 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.8 91.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.231 -0.918 . . . . 0.0 109.534 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 m -60.95 -45.87 92.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.35 -0.844 . . . . 0.0 110.437 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.89 -38.12 78.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.299 -0.875 . . . . 0.0 109.828 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.79 -37.72 88.43 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.47 -39.23 79.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.002 -1.061 . . . . 0.0 109.322 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.43 -42.5 99.5 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.274 -0.891 . . . . 0.0 109.365 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.9 m -65.39 -44.67 86.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -51.49 66.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 0.0 109.229 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.19 -37.35 83.52 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.326 -0.859 . . . . 0.0 109.55 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.25 85.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.253 -0.905 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 65.0 t80 -66.09 -48.4 71.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.832 . . . . 0.0 109.577 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 64' ' ' GLY . 36.9 tttt -62.57 -35.35 79.19 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.539 -0.725 . . . . 0.0 109.318 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.96 -34.75 78.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.199 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.21 -31.81 70.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.22 -0.925 . . . . 0.0 109.364 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 63' ' ' ILE . 5.0 mt -122.87 11.89 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.62 -0.675 . . . . 0.0 109.808 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 60' ' ' LYS . . . -52.16 -37.26 46.19 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.01 66.31 Favored Glycine 0 N--CA 1.488 2.131 0 O-C-N 121.166 -1.196 . . . . 0.0 110.197 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.47 -38.16 76.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.763 -1.433 . . . . 0.0 108.945 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.95 -28.68 1.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.53 -31.93 73.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 73' ' ' ASP . . . -61.54 -35.74 78.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.349 -0.844 . . . . 0.0 109.259 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.13 -37.65 77.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.252 -0.905 . . . . 0.0 108.974 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.78 -40.81 89.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.77 -61.11 1.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.459 -0.775 . . . . 0.0 108.979 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 67.0 -18.16 0.12 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.576 -0.702 . . . . 0.0 109.87 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.56 ' H ' ' C ' ' A' ' 72' ' ' SER . 52.2 mttm -93.17 -80.74 0.37 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.972 -1.08 . . . . 0.0 109.334 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 90.8 p -67.89 -35.85 79.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.338 -0.851 . . . . 0.0 110.217 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 76' ' ' LEU . 36.5 tp -65.59 -36.27 83.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.863 -1.148 . . . . 0.0 109.53 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.441 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 83.4 t60 -60.35 -44.98 95.05 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.142 -0.974 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.64 HG22 HD12 ' B' ' 130' ' ' ILE . 0.3 OUTLIER -64.66 -40.85 90.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.161 -0.962 . . . . 0.0 108.599 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.438 ' N ' ' CG1' ' A' ' 78' ' ' VAL . 12.0 ttt -58.3 -36.5 73.44 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.592 ' OD1' ' N ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -60.35 -32.43 71.26 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 178.338 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.592 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 23.2 m -56.97 -37.31 71.41 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 69.5 mt -60.54 -40.39 91.34 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.524 -0.735 . . . . 0.0 109.532 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.521 HD11 HD13 ' A' ' 63' ' ' ILE . 56.1 mt -86.22 -45.32 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.157 -0.964 . . . . 0.0 111.527 -179.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.569 ' CD2' ' ND2' ' A' ' 80' ' ' ASN . 93.8 m-70 -76.11 -47.83 22.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.196 -0.94 . . . . 0.0 111.34 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -81.94 102.41 10.9 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.808 -1.183 . . . . 0.0 109.715 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 84' ' ' HIS . 7.2 mp0 -63.66 -35.16 79.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.407 -0.808 . . . . 0.0 109.861 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.32 -47.11 87.42 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.262 -0.899 . . . . 0.0 109.962 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HE2' HD13 ' B' ' 130' ' ' ILE . 45.0 tptt -64.29 -43.26 95.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.142 -0.974 . . . . 0.0 109.046 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -64.2 -37.92 89.21 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' HE2' HD22 ' A' ' 138' ' ' ASN . 0.0 OUTLIER -54.64 -45.18 73.74 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.504 -0.748 . . . . 0.0 109.61 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.34 -44.17 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.161 -0.962 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.502 ' CE1' ' CG ' ' B' ' 134' ' ' GLN . 44.5 t80 -63.81 -45.04 91.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.22 -0.925 . . . . 0.0 109.258 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.8 tpt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.194 -0.941 . . . . 0.0 108.902 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.33 -41.19 98.35 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.58 ' ND2' ' O ' ' B' ' 140' ' ' MET . 92.1 m-20 -62.9 -41.02 99.28 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.429 -0.794 . . . . 0.0 109.754 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -65.31 -48.94 71.34 Favored 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 119.38 -0.928 . . . . 0.0 108.911 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 131' ' ' ILE . 47.2 m -63.69 -46.02 87.4 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.421 -0.8 . . . . 0.0 109.138 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.657 ' SD ' ' NH1' ' A' ' 150' ' ' ARG . 92.3 mmm -63.21 -40.07 96.44 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.185 -0.947 . . . . 0.0 109.551 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -63.69 -46.92 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.242 -0.911 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 55.7 tp -68.01 -42.56 80.5 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.194 -0.941 . . . . 0.0 108.627 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.725 ' CE2' HD11 ' A' ' 105' ' ' LEU . 45.9 t80 -60.78 -41.21 95.08 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.068 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -61.95 -40.55 95.94 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.876 . . . . 0.0 109.7 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.91 -40.08 94.52 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.714 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.419 ' HZ2' ' HA ' ' A' ' 104' ' ' LYS . 4.8 mmtm -63.43 -45.45 90.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.982 . . . . 0.0 109.312 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.725 HD11 ' CE2' ' A' ' 101' ' ' TYR . 52.7 mt -69.01 -36.15 77.47 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' NZ ' ' OE2' ' B' ' 149' ' ' GLU . 33.8 tttp -60.26 -45.95 91.5 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.577 ' OE1' HD13 ' A' ' 117' ' ' LEU . 95.8 mt-30 -64.09 -36.73 84.98 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 157' ' ' TYR . 10.0 tp -58.88 -32.73 69.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.659 ' NZ ' ' SD ' ' B' ' 156' ' ' MET . 69.4 tttt -59.13 -39.58 82.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.678 -0.639 . . . . 0.0 110.126 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' OD1' ' O ' ' A' ' 109' ' ' LYS . 36.0 m-20 -168.23 -22.81 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.264 -0.897 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -51.48 156.8 3.17 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.56 141.26 85.57 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.838 2.359 . . . . 0.0 112.579 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 108' ' ' LEU . 3.8 m-90 -106.08 137.03 44.71 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -153.89 172.95 16.6 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.971 -1.081 . . . . 0.0 110.362 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.5 t -55.35 -39.92 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.329 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 51.0 ttm -57.28 -42.4 81.59 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.013 -1.054 . . . . 0.0 108.64 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.577 HD13 ' OE1' ' A' ' 107' ' ' GLN . 41.7 tp -62.3 -36.89 83.51 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.457 -0.777 . . . . 0.0 108.925 178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' B' ' 182' ' ' ASP . 86.8 tttt -56.69 -47.34 80.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.485 -0.759 . . . . 0.0 109.857 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -66.43 -36.22 82.26 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.518 -0.739 . . . . 0.0 109.563 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.1 m -60.95 -40.54 93.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.324 -0.86 . . . . 0.0 110.299 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 67.1 mt -62.73 -39.44 94.07 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.022 -1.049 . . . . 0.0 108.779 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.914 ' NE1' HD21 ' A' ' 158' ' ' LEU . 53.2 m95 -63.41 -39.18 93.79 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.492 -0.755 . . . . 0.0 109.295 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.16 -42.37 96.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.473 -0.767 . . . . 0.0 109.751 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.9 m -61.31 -40.16 93.15 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.271 -0.893 . . . . 0.0 109.701 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 0.0 110.081 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.23 -42.38 96.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.044 -1.035 . . . . 0.0 110.064 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.58 -39.61 94.83 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 0.0 110.179 -179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 151' ' ' ILE . 14.5 m-85 -64.32 -43.95 93.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.138 -0.977 . . . . 0.0 110.179 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.1 m -62.03 -36.99 83.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 0.0 109.816 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD2' ' A' ' 30' ' ' TYR . 87.5 m -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.225 -0.922 . . . . 0.0 109.97 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 97' ' ' THR . 98.8 mt -59.03 -43.82 89.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.104 -0.997 . . . . 0.0 110.253 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 147' ' ' LEU . 80.5 mt -69.47 -45.32 69.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.071 -1.018 . . . . 0.0 110.13 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.591 ' NE2' ' OE1' ' A' ' 33' ' ' GLU . 7.0 t60 -67.12 -45.68 76.43 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.376 -0.827 . . . . 0.0 110.928 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 134' ' ' LEU . 93.2 mt -62.18 -30.54 71.14 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.343 -0.848 . . . . 0.0 111.637 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -137.57 55.28 1.8 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.775 -1.203 . . . . 0.0 111.482 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -62.49 -37.85 87.62 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.904 -1.123 . . . . 0.0 109.341 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -68.01 -29.66 68.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.553 -0.717 . . . . 0.0 111.339 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.41 HD22 ' HE2' ' A' ' 90' ' ' LYS . 15.4 t30 -91.87 0.83 57.47 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.744 -1.223 . . . . 0.0 110.426 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.06 126.32 74.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.332 -0.855 . . . . 0.0 109.276 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m -70.86 160.0 33.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.294 -0.879 . . . . 0.0 109.436 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -65.01 -38.3 90.48 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.182 -0.949 . . . . 0.0 109.398 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 47.0 m -64.79 -45.4 86.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 85.9 p -65.96 -34.15 77.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.369 -0.832 . . . . 0.0 109.234 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.604 HG23 HD22 ' A' ' 132' ' ' LEU . 47.6 m -63.6 -40.69 97.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.389 -0.82 . . . . 0.0 109.322 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -58.17 -39.11 78.02 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.267 -0.896 . . . . 0.0 109.605 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.1 m -61.87 -41.92 98.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 0.0 109.279 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 132' ' ' LEU . 89.6 mt -67.08 -41.24 86.7 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.396 -0.815 . . . . 0.0 109.73 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.03 -37.0 81.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.365 -0.834 . . . . 0.0 109.337 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -62.17 -40.39 95.85 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.338 -0.852 . . . . 0.0 108.852 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.657 ' NH1' ' SD ' ' A' ' 98' ' ' MET . 90.6 mtt180 -61.39 -42.09 98.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.281 -0.887 . . . . 0.0 108.917 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 128' ' ' PHE . 75.4 mt -64.98 -43.04 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.586 ' NZ ' ' OD2' ' B' ' 172' ' ' ASP . 12.7 mmtt -61.13 -38.72 87.39 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.658 -0.651 . . . . 0.0 109.579 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.844 ' OH ' HD11 ' B' ' 154' ' ' LEU . 24.7 t80 -57.91 -43.8 86.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 1.1 m -65.96 -40.28 91.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.264 -0.897 . . . . 0.0 108.677 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -59.0 -43.71 91.54 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.517 -0.739 . . . . 0.0 109.485 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.484 ' CG2' HG21 ' B' ' 166' ' ' ILE . 86.2 mt -69.32 -49.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.318 -0.864 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.893 ' CD1' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -66.45 -35.92 81.48 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.278 -0.889 . . . . 0.0 110.841 -179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 1.074 HD23 HD11 ' B' ' 175' ' ' LEU . 31.5 tp -59.71 -35.15 73.94 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.627 ' HB2' HD23 ' B' ' 175' ' ' LEU . 37.3 t -65.07 -45.44 85.29 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.627 -0.67 . . . . 0.0 110.116 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -60.43 -38.58 84.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.447 -0.783 . . . . 0.0 110.105 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.434 HD23 ' HB ' ' A' ' 166' ' ' ILE . 18.8 mt -60.03 -35.67 75.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.06 -1.025 . . . . 0.0 108.968 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.77 -29.4 69.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.341 -0.85 . . . . 0.0 109.886 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -78.67 -16.02 57.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.129 -0.982 . . . . 0.0 109.289 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.4 11.33 78.15 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -74.64 -28.84 61.04 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.535 -0.979 . . . . 0.0 109.816 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.434 ' HB ' HD23 ' A' ' 161' ' ' LEU . 17.2 mm -102.11 130.8 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.185 -0.947 . . . . 0.0 109.015 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.996 -1.447 . . . . 0.0 109.608 -179.723 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ILE . . . . . 0.637 HG22 ' ND2' ' B' ' 129' ' ' ASN . 76.0 mt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ASN . . . . . 0.637 ' ND2' HG22 ' B' ' 128' ' ' ILE . 2.8 m120 -78.0 20.24 0.38 Allowed 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ILE . . . . . 0.64 HD12 HG22 ' A' ' 78' ' ' VAL . 18.7 tt -65.07 -41.86 93.03 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ASP . . . . . 0.556 ' N ' HG23 ' B' ' 130' ' ' ILE . 88.6 m-20 -71.69 -41.76 68.26 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -66.8 -46.75 74.23 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.64 0.733 . . . . 0.0 109.38 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.43 -44.18 92.0 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.719 0.771 . . . . 0.0 109.004 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . 0.502 ' CG ' ' CE1' ' A' ' 92' ' ' TYR . 3.2 tp60 -61.68 -41.08 97.07 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' B' ' 136' ' ' MET . 49.7 t0 -173.92 162.49 3.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.331 -0.856 . . . . 0.0 109.585 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' MET . . . . . 0.448 ' N ' ' OD1' ' B' ' 135' ' ' ASP . 64.9 mtt -58.06 -29.07 65.11 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.25 -0.907 . . . . 0.0 108.804 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' GLN . . . . . 0.984 ' NE2' HD11 ' B' ' 143' ' ' LEU . 88.2 mt-30 -41.29 138.16 1.27 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.603 -0.686 . . . . 0.0 109.583 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -64.52 -46.92 80.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.824 . . . . 0.0 111.004 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -147.07 149.62 33.43 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.752 -1.217 . . . . 0.0 110.582 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' MET . . . . . 0.58 ' O ' ' ND2' ' A' ' 95' ' ' ASN . 36.9 mtp -63.23 -41.35 99.09 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 122.075 0.941 . . . . 0.0 109.515 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 94.5 mt -58.68 -32.59 69.26 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 108.507 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -58.92 -34.44 71.72 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.332 -0.855 . . . . 0.0 108.814 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' LEU . . . . . 0.984 HD11 ' NE2' ' B' ' 137' ' ' GLN . 2.6 mm? -60.34 -34.38 73.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.168 -0.958 . . . . 0.0 108.578 179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.55 -32.28 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.025 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.5 -38.92 78.65 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.7 -35.81 75.27 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' GLY . . . . . . . . . . . . . . . -61.53 -33.48 84.98 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -55.81 -39.68 71.68 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.041 -1.27 . . . . 0.0 107.8 178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' GLU . . . . . 0.587 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 78.4 tt0 -61.65 -33.39 73.88 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' LEU . . . . . 0.71 HD23 ' O ' ' B' ' 150' ' ' LEU . 5.8 tt -54.93 -43.35 73.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.58 -40.72 97.79 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.392 -0.817 . . . . 0.0 108.912 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' GLU . . . . . 0.554 ' OE2' ' SD ' ' B' ' 156' ' ' MET . 12.0 tm-20 -62.68 -39.16 93.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.489 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 47.8 t -64.17 -50.52 76.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 O-C-N 121.354 -0.841 . . . . 0.0 110.369 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' LEU . . . . . 0.844 HD11 ' OH ' ' A' ' 153' ' ' TYR . 0.6 OUTLIER -66.75 -33.27 75.26 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.154 -0.966 . . . . 0.0 109.081 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.3 93.57 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.327 -0.858 . . . . 0.0 109.534 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' MET . . . . . 0.659 ' SD ' ' NZ ' ' A' ' 109' ' ' LYS . 88.8 mtp -63.92 -38.97 93.06 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.074 -1.016 . . . . 0.0 109.478 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' B' ' 158' ' ' ASN . 19.5 t-20 -60.75 -38.68 85.98 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.347 -0.846 . . . . 0.0 109.396 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' B' ' 157' ' ' ASN . 5.0 m-20 166.48 107.17 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.46 -0.775 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.07 -35.01 70.75 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.098 -1.002 . . . . 0.0 108.787 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' SER . . . . . . . . . . . . . 51.7 p -83.5 0.71 45.24 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' GLY . . . . . . . . . . . . . . . -56.59 98.32 0.07 OUTLIER Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -119.97 154.66 34.17 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.542 -0.975 . . . . 0.0 109.177 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' LEU . . . . . 0.665 ' H ' HD12 ' B' ' 163' ' ' LEU . 7.0 mp -54.61 -32.89 59.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.188 -0.945 . . . . 0.0 109.288 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.28 -33.1 70.65 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.277 -0.889 . . . . 0.0 109.434 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -75.31 -24.5 57.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.899 . . . . 0.0 109.553 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' ILE . . . . . 0.601 ' O ' ' N ' ' B' ' 168' ' ' ASP . 38.1 mt -101.21 132.68 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.15 -0.969 . . . . 0.0 108.565 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -58.5 70.25 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.412 -0.805 . . . . 0.0 110.357 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' B' ' 166' ' ' ILE . 47.6 t0 -60.87 -36.9 80.37 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.058 -1.026 . . . . 0.0 111.017 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' ALA . . . . . . . . . . . . . . . -63.53 -49.63 72.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.914 -1.116 . . . . 0.0 111.893 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -43.57 65.89 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.674 -1.266 . . . . 0.0 109.785 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.85 -38.22 89.95 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.602 . . . . 0.0 110.146 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' ASP . . . . . 0.586 ' OD2' ' NZ ' ' A' ' 152' ' ' LYS . 94.1 m-20 -61.01 -41.17 96.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.927 . . . . 0.0 110.593 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.77 -40.92 92.51 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.092 -1.005 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.42 -35.9 82.34 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.155 -0.966 . . . . 0.0 109.972 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . 1.074 HD11 HD23 ' A' ' 158' ' ' LEU . 0.1 OUTLIER -62.89 -42.56 99.82 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.149 -0.969 . . . . 0.0 110.574 -179.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.58 -40.25 96.47 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 120.992 -1.067 . . . . 0.0 109.729 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.61 71.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.06 -1.025 . . . . 0.0 108.986 179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.3 -32.22 73.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.293 -0.879 . . . . 0.0 109.409 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' ALA . . . . . 0.457 ' HB2' ' CH2' ' A' ' 122' ' ' TRP . . . -57.11 -44.32 83.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.258 -0.901 . . . . 0.0 109.026 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.34 -39.3 86.61 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.36 -0.837 . . . . 0.0 109.067 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . 0.481 ' OE1' ' OD1' ' B' ' 182' ' ' ASP . 3.8 tm-20 -72.95 -42.67 63.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 67.9 m-20 -70.39 -34.54 72.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.56 -0.713 . . . . 0.0 110.183 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.5 173.43 8.34 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.347 -0.846 . . . . 0.0 109.421 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' THR . . . . . 0.458 ' C ' HD22 ' B' ' 185' ' ' LEU . 1.0 OUTLIER -109.35 119.23 38.83 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.486 -0.759 . . . . 0.0 109.053 179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.756 ' N ' HD22 ' B' ' 185' ' ' LEU . 3.0 mm? -91.34 138.29 25.66 Favored Pre-proline 0 C--N 1.301 -1.528 0 O-C-N 121.392 -0.818 . . . . 0.0 109.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 N--CA 1.491 1.369 0 C-N-CA 122.217 1.944 . . . . 0.0 112.205 179.943 . . . . . . . . 0 0 . 1 stop_ save_