data_1pc2_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 1pc2 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.249 0.547 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' A' ' 13' ' ' ASP . 93.4 p -63.1 137.98 58.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.287 -0.883 . . . . 0.0 108.924 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.07 -27.14 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 109.168 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.06 -46.91 69.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 108.967 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.48 ' H ' ' HG ' ' A' ' 10' ' ' SER . 10.3 t70 -64.65 -37.84 88.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.361 -0.837 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -49.3 56.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.1 -1.0 . . . . 0.0 109.524 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.2 -29.89 61.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.919 -1.113 . . . . 0.0 109.423 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -50.83 -53.69 30.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 108.881 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.36 -25.15 64.04 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.153 -0.967 . . . . 0.0 108.744 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.25 -35.82 74.05 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' CB ' ' HZ1' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.52 -48.56 71.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -58.76 -48.82 79.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.371 -0.831 . . . . 0.0 108.957 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.78 -34.06 57.88 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -53.17 11.67 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.843 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -58.74 -50.07 75.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.757 -1.214 . . . . 0.0 109.883 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 29' ' ' SER . 69.0 mt-10 -58.25 -51.93 67.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.085 -1.009 . . . . 0.0 108.95 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 73.8 tttt -58.19 -39.16 78.21 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.0 109.163 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.94 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.26 -14.75 28.56 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.98 10.71 45.23 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -154.55 158.6 40.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.444 -1.033 . . . . 0.0 109.185 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.18 126.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.332 -0.855 . . . . 0.0 109.371 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -70.51 139.75 51.68 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.433 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -56.74 -30.22 63.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.194 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -54.38 -49.43 69.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.46 ' HG1' ' CD ' ' A' ' 24' ' ' GLU . 5.3 m -66.49 -39.89 88.96 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -58.38 -38.86 78.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 109.253 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 24.6 m-85 -71.63 -50.37 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.365 -0.835 . . . . 0.0 110.177 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -72.03 -15.01 62.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.134 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.82 -34.73 45.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.752 -1.218 . . . . 0.0 109.075 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.02 -38.3 66.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.145 -0.972 . . . . 0.0 109.175 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.619 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.19 -52.44 63.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.092 . . . . 0.0 108.24 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 m -53.51 -39.86 64.95 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.554 -0.716 . . . . 0.0 109.688 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 45' ' ' SER . 13.3 mt -77.44 -43.65 31.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.054 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.84 -20.12 3.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 O-C-N 120.964 -1.085 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.619 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 36.8 mtm180 -112.0 29.17 8.1 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 8.2 p -83.42 159.33 21.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 0.0 109.651 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -79.96 -6.69 57.99 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.377 -0.827 . . . . 0.0 109.102 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -106.2 142.2 36.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.22 -48.63 50.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.918 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -51.8 -31.32 26.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.923 -1.111 . . . . 0.0 110.525 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.79 -29.84 70.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.096 . . . . 0.0 108.861 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -78.59 -40.62 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.898 . . . . 0.0 108.579 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -54.55 -31.4 56.48 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -83.82 -40.88 18.15 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.92 79.0 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.15 -42.03 58.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.266 -1.137 . . . . 0.0 108.99 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.9 -45.0 96.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.9 mt -49.55 -50.08 43.56 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.631 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.6 mt -71.31 -41.41 69.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.65 -41.7 55.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.019 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.42 -28.71 62.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 mt -76.3 -31.13 58.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.171 -0.955 . . . . 0.0 110.829 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 5.6 mp -52.43 -55.77 28.82 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.709 -1.245 . . . . 0.0 111.063 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -58.06 -25.55 71.29 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -85.36 -13.32 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.386 -0.821 . . . . 0.0 110.188 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.56 157.05 19.4 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.1 m -70.63 -165.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -1.092 . . . . 0.0 109.177 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -74.41 -37.94 63.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.028 -1.045 . . . . 0.0 109.736 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -71.85 -48.96 42.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.09 -30.53 62.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 109.035 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -72.34 -40.27 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.184 -0.948 . . . . 0.0 109.115 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 53.7 mtm180 -51.67 -34.2 37.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.39 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.44 -51.87 10.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.085 -1.009 . . . . 0.0 109.536 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.2 m-85 -63.1 -35.6 80.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 109.392 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.59 -40.19 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 108.468 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.43 -43.21 93.15 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.792 -0.568 . . . . 0.0 110.587 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.804 -1.185 . . . . 0.0 110.417 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.54 -44.71 95.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 109.871 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.57 -33.27 73.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.2 t -75.75 -37.26 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.98 . . . . 0.0 110.063 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.24 -42.72 65.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -76.38 -29.6 57.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.159 -1.201 . . . . 0.0 109.547 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.83 -44.0 86.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.559 ' C ' ' H ' ' A' ' 85' ' ' LYS . 15.9 ptm180 -75.16 -36.38 61.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 110.445 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 86' ' ' GLU . 95.0 mt -67.52 32.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.721 -1.237 . . . . 0.0 110.46 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 83' ' ' ARG . 74.3 tttt 64.91 -37.56 0.22 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.224 -0.923 . . . . 0.0 110.338 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.5 95.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.738 -1.226 . . . . 0.0 108.687 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' LYS . 65.0 m-85 -84.15 -41.84 16.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 0.0 110.557 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -43.78 75.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.925 . . . . 0.0 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -54.11 -49.41 69.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.947 -1.096 . . . . 0.0 109.133 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.66 67.74 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.19 -23.9 63.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.499 -0.751 . . . . 0.0 109.637 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -77.61 -35.69 52.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -74.79 -39.87 61.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.652 -0.655 . . . . 0.0 109.644 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.28 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 110.278 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -72.46 -48.11 43.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.611 -1.306 . . . . 0.0 109.615 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.7 78.63 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.0 tp -58.73 -37.32 75.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.621 -0.929 . . . . 0.0 108.776 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.738 -1.226 . . . . 0.0 109.402 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -53.32 -24.3 11.52 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 35.6 p -95.33 -48.3 5.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 45.3 mt-10 -129.49 77.94 76.43 Favored Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.87 -0.519 . . . . 0.0 110.166 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.08 -25.58 65.94 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.341 1.361 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.7 3.42 5.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -82.47 105.43 13.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.139 -0.976 . . . . 0.0 109.513 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.636 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -73.39 -42.59 61.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.94 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -56.46 -29.36 61.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.22 -27.72 42.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 109.019 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -74.96 -50.28 17.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.845 . . . . 0.0 109.72 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.46 -37.99 73.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 109.296 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.75 -40.79 98.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.052 -1.03 . . . . 0.0 108.702 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.01 -34.47 70.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.087 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' LYS . 94.2 mtt180 -63.31 -49.25 74.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.492 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.01 -51.71 68.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.227 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -57.02 -53.01 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.342 -0.849 . . . . 0.0 110.004 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.45 -37.56 74.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.215 -0.928 . . . . 0.0 109.918 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 112' ' ' ARG . 50.1 tttm -68.77 -39.79 80.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.181 -0.949 . . . . 0.0 110.087 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.14 70.78 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.947 -1.095 . . . . 0.0 108.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 31.5 mtm -51.19 -40.8 59.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.223 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.511 0 O-C-N 120.587 -1.321 . . . . 0.0 109.195 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 t -79.02 140.6 37.92 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.237 -0.914 . . . . 0.0 108.907 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.14 -23.58 13.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.83 -45.84 66.95 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.94 -49.31 68.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.4 -0.813 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.21 90.49 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.966 -1.084 . . . . 0.0 109.954 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.12 -33.92 59.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.79 -1.194 . . . . 0.0 109.486 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HZ2' ' CB ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.74 -44.44 77.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.863 -1.148 . . . . 0.0 108.257 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.1 m-85 -71.86 -28.97 63.89 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.49 -36.93 71.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -55.9 -43.29 77.13 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.0 -48.76 64.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.245 -0.91 . . . . 0.0 108.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.58 -42.53 71.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.313 -0.867 . . . . 0.0 108.886 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.35 -50.4 32.62 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.486 -0.759 . . . . 0.0 109.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.4 m -61.11 -40.77 95.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.797 -1.189 . . . . 0.0 109.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.54 -46.75 83.51 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.477 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.6 mmmt -57.16 -41.24 78.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.004 -1.06 . . . . 0.0 108.78 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.36 72.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -17.62 18.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 91.69 13.92 57.46 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 108.931 -1.667 . . . . 0.0 108.931 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 m -157.79 154.78 28.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.04 . . . . 0.0 109.638 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.88 128.47 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.458 -0.776 . . . . 0.0 109.581 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.71 146.91 30.83 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -58.86 -25.77 63.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.509 -0.744 . . . . 0.0 109.525 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -49.79 75.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.353 -0.842 . . . . 0.0 110.319 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -65.47 -43.92 88.79 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.989 -1.069 . . . . 0.0 109.677 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -52.16 -43.31 64.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 49.4 m-85 -71.09 -49.18 47.24 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 109.763 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 61.4 mt-10 -58.71 -30.47 67.46 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.677 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -88.31 -27.35 21.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.134 -0.978 . . . . 0.0 110.391 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.43 15.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.785 -1.197 . . . . 0.0 109.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 6.9 p-90 -59.53 -37.28 77.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.698 -1.252 . . . . 0.0 108.548 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 55.1 m -55.59 -34.27 64.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.786 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.46 -58.62 3.11 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.046 -1.034 . . . . 0.0 111.919 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 m -54.84 -17.52 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.861 -1.149 . . . . 0.0 110.187 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -94.58 21.18 7.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 109.264 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -101.49 -162.82 0.96 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.211 -0.931 . . . . 0.0 109.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -121.47 0.64 10.01 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -95.22 116.44 28.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.302 -0.873 . . . . 0.0 109.125 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.4 -49.03 62.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 110.133 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -51.53 -31.77 25.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.974 -1.079 . . . . 0.0 110.338 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.53 -30.59 63.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.969 -1.082 . . . . 0.0 109.463 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.12 -45.46 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.945 -1.097 . . . . 0.0 108.903 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -54.27 -54.13 44.29 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -68.15 -34.76 76.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.509 -0.744 . . . . 0.0 109.054 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.36 95.57 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.75 -39.76 84.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 120.988 -1.301 . . . . 0.0 108.835 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.55 -45.64 96.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.33 -45.85 46.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.772 -0.58 . . . . 0.0 109.975 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -41.37 60.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.721 -1.237 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -52.0 -41.86 62.53 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 110.211 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -73.03 -30.08 63.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.134 -0.978 . . . . 0.0 109.789 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.0 -30.52 61.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 110.939 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.02 -56.38 24.27 Favored Pre-proline 0 N--CA 1.486 1.338 0 O-C-N 120.793 -1.192 . . . . 0.0 111.202 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -58.92 -31.27 95.18 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.651 0.901 . . . . 0.0 110.203 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -76.17 -20.67 57.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.109 -0.994 . . . . 0.0 110.193 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.05 156.27 21.3 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.9 p -64.8 -166.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -1.194 . . . . 0.0 109.171 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -74.54 -35.92 63.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.979 -1.075 . . . . 0.0 109.065 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 71' ' ' ARG . 13.6 tp10 -71.33 -47.39 56.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.128 -0.983 . . . . 0.0 108.887 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 52.0 mt-10 -56.12 -28.25 57.11 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.39 -0.819 . . . . 0.0 109.173 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -72.03 -45.75 59.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.277 -0.889 . . . . 0.0 109.456 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.54 ' NH1' ' CG ' ' A' ' 101' ' ' GLU . 33.1 mtm180 -51.26 -33.49 28.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.107 -0.995 . . . . 0.0 109.767 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.54 -51.54 16.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.925 -1.109 . . . . 0.0 109.237 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.8 m-85 -62.6 -29.52 70.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 0.0 109.051 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.65 -42.86 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -58.85 -45.02 91.1 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.85 -0.531 . . . . 0.0 110.217 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -65.83 -39.76 91.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.735 -1.228 . . . . 0.0 109.799 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.28 -45.13 94.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 109.497 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.53 63.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.111 -0.993 . . . . 0.0 109.043 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.2 -42.33 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.38 -0.825 . . . . 0.0 109.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.04 -41.52 95.11 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -68.78 -29.54 67.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.088 -1.242 . . . . 0.0 109.475 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.34 -30.04 70.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 108.917 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 85' ' ' LYS . 21.5 mmt180 -70.64 -45.33 65.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.28 -0.887 . . . . 0.0 109.775 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 86' ' ' GLU . 80.4 mt -70.91 29.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 83' ' ' ARG . 35.3 mttp 55.52 2.59 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 110.094 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 84' ' ' LEU . 55.7 mt-10 -74.16 92.34 2.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.947 -1.096 . . . . 0.0 108.97 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -83.74 -31.62 25.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.914 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -72.54 -48.73 37.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.747 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -66.99 -40.67 87.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.182 -0.949 . . . . 0.0 109.919 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.05 74.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.953 -1.092 . . . . 0.0 109.438 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 95' ' ' ARG . 3.8 mp -76.01 -18.35 59.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.234 -0.916 . . . . 0.0 109.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.17 -36.8 69.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.453 -1.405 . . . . 0.0 107.579 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -77.93 -43.68 29.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.8 -0.562 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.23 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.239 -0.913 . . . . 0.0 110.844 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 20.9 mmm180 -70.05 -45.66 66.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.25 -1.531 . . . . 0.0 109.241 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.88 73.38 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 100' ' ' THR . 20.0 tp -59.67 -39.4 84.35 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.496 -1.002 . . . . 0.0 108.964 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 mt -75.7 -38.47 58.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.117 . . . . 0.0 109.612 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -52.28 -24.2 7.02 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.512 ' HG1' ' H ' ' A' ' 101' ' ' GLU . 17.3 p -96.99 -43.51 7.41 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' CG ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -131.4 76.75 75.09 Favored Pre-proline 0 N--CA 1.501 2.096 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -9.85 26.58 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.47 1.447 . . . . 0.0 109.571 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.92 -6.5 58.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -74.87 97.94 3.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.013 -1.054 . . . . 0.0 109.742 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.42 -41.39 84.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.672 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -56.8 -28.09 60.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.94 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.24 48.05 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.109 -0.994 . . . . 0.0 109.086 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.12 -51.22 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.873 . . . . 0.0 109.726 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.0 -32.43 67.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.143 -0.973 . . . . 0.0 109.086 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.36 -42.86 99.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 108.697 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.98 -36.22 82.81 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.821 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -55.53 -45.63 77.15 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.438 -0.789 . . . . 0.0 109.637 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -57.49 -42.93 83.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.59 -49.78 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.86 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.57 -49.37 70.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 110.072 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -56.91 -48.38 78.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.101 -0.999 . . . . 0.0 110.258 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.12 77.33 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.056 -1.028 . . . . 0.0 108.484 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 23.5 mtp -47.78 -47.47 30.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.641 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 N--CA 1.492 1.666 0 O-C-N 120.53 -1.356 . . . . 0.0 109.08 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.427 ' OG ' ' OD1' ' A' ' 13' ' ' ASP . 88.1 p -64.91 134.02 53.09 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.222 -0.924 . . . . 0.0 108.883 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.66 -25.36 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.137 -0.977 . . . . 0.0 109.026 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 38.0 mm-40 -70.71 -47.76 58.09 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.09 -1.007 . . . . 0.0 109.012 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.8 m-20 -67.96 -33.74 75.24 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.202 -0.936 . . . . 0.0 109.546 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 3.1 tm? -72.44 -49.47 33.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.138 -0.976 . . . . 0.0 109.328 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LYS . 89.8 mt -76.62 -28.52 56.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.891 -1.131 . . . . 0.0 110.233 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -58.72 -46.36 87.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.835 -1.166 . . . . 0.0 109.365 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.06 -28.96 62.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.759 -1.213 . . . . 0.0 108.614 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.42 -31.27 57.81 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . 17.9 tptm -55.63 -47.82 75.96 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' OG1' ' A' ' 34' ' ' THR . 3.7 mtmp? -60.6 -43.63 97.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.019 -1.05 . . . . 0.0 108.859 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.95 -34.56 56.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.321 -0.862 . . . . 0.0 109.507 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -73.79 -53.41 10.33 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -57.59 -49.77 75.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.787 -1.196 . . . . 0.0 109.892 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 81.6 mt-10 -57.8 -51.73 68.37 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.156 -0.965 . . . . 0.0 108.73 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 19.8 ttpp -57.47 -40.86 79.47 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.2 -0.938 . . . . 0.0 109.055 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.94 70.52 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.76 -15.37 28.77 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 98.65 10.68 49.59 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -150.41 158.9 44.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.442 -1.034 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -139.69 126.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -81.41 140.44 34.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -56.32 -27.29 55.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.513 -0.742 . . . . 0.0 109.257 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.7 p -54.3 -43.29 70.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.897 . . . . 0.0 109.701 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.527 ' OG1' ' NZ ' ' A' ' 20' ' ' LYS . 52.7 m -82.61 -48.2 11.23 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.171 -0.956 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -53.1 -46.31 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.152 -0.967 . . . . 0.0 109.328 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t80 -71.06 -48.68 51.32 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.514 -0.741 . . . . 0.0 110.071 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 21.2 mm-40 -71.38 -14.6 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.476 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 7.6 t80 -77.05 -35.99 56.38 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.273 -0.892 . . . . 0.0 108.865 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.74 71.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.185 -0.947 . . . . 0.0 109.098 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.14 -48.32 68.02 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.68 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 8.7 m -54.49 -41.71 69.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.712 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.59 -39.7 36.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.107 -0.996 . . . . 0.0 110.948 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -52.72 -23.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.878 -1.139 . . . . 0.0 109.536 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.3 OUTLIER -101.88 22.69 12.57 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.2 t -82.92 165.49 19.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.036 -1.04 . . . . 0.0 109.635 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -90.38 1.16 56.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.253 -0.904 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -108.93 145.18 35.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.436 -0.79 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -70.71 -48.24 55.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.911 . . . . 0.0 110.223 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 36.4 p-10 -52.05 -34.76 44.85 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.99 -1.069 . . . . 0.0 110.56 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 6.0 m-20 -68.0 -32.71 73.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.87 -1.144 . . . . 0.0 109.14 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.8 mt -78.48 -45.04 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.83 -1.169 . . . . 0.0 108.562 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -53.99 -54.33 40.61 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' HZ3' ' HH ' ' A' ' 38' ' ' TYR . 43.0 tttt -55.32 -47.9 74.96 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.12 -36.69 91.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 55' ' ' ILE . 61.3 mt -71.02 -40.01 75.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 121.124 -1.221 . . . . 0.0 108.87 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.26 -47.95 85.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.9 mt -49.06 -50.4 36.76 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.76 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -69.17 -42.71 75.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.873 -1.142 . . . . 0.0 110.111 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.72 -37.29 50.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.903 -1.123 . . . . 0.0 109.785 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -74.4 -29.23 61.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 109.734 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.93 -30.79 58.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.263 -0.898 . . . . 0.0 110.819 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -53.57 -55.71 32.26 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 120.758 -1.214 . . . . 0.0 111.1 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -51.73 -28.36 29.82 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 N-CA-C 109.606 -0.959 . . . . 0.0 109.606 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.1 7.14 47.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.859 . . . . 0.0 108.962 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.78 149.41 18.51 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 t -64.52 -175.94 0.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.273 . . . . 0.0 108.661 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -76.08 -46.89 26.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.689 -1.257 . . . . 0.0 109.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.32 -44.48 68.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.94 -32.56 67.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.476 -0.765 . . . . 0.0 109.004 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -69.52 -38.98 77.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.126 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CZ ' ' OE2' ' A' ' 101' ' ' GLU . 39.4 mtm180 -52.55 -39.62 61.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.027 . . . . 0.0 109.254 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.07 -45.18 58.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.049 -1.032 . . . . 0.0 108.491 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 7.3 m-30 -57.25 -40.42 77.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.23 -35.33 48.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.677 -0.639 . . . . 0.0 110.82 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -68.72 -39.32 80.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.522 -1.361 . . . . 0.0 110.197 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.62 -44.65 96.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.104 -0.997 . . . . 0.0 109.764 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.45 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 0.0 109.269 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.76 -39.46 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.12 -42.31 84.54 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -65.7 -27.33 68.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -1.127 . . . . 0.0 109.548 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -74.23 -29.38 61.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.882 . . . . 0.0 108.904 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -67.66 -46.45 72.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 0.0 109.554 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 86' ' ' GLU . 51.8 mt -69.21 20.69 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.232 -0.918 . . . . 0.0 110.144 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER 65.53 -8.31 0.29 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 109.556 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -67.45 97.66 0.59 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.053 -1.029 . . . . 0.0 109.192 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.36 -36.45 22.49 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 0.0 109.768 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 23.0 mp0 -64.87 -50.12 67.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -0.932 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.68 71.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.0 109.801 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.87 -18.57 9.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 108.953 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -74.48 -41.72 60.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.975 -1.078 . . . . 0.0 108.382 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -75.88 -35.26 59.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.547 -0.72 . . . . 0.0 110.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.09 -33.18 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.109 -0.994 . . . . 0.0 110.337 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.69 -46.59 62.87 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.401 -1.437 . . . . 0.0 109.086 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.01 -28.95 74.08 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.492 ' O ' ' OG1' ' A' ' 100' ' ' THR . 22.2 tp -60.65 -36.97 80.01 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.541 -0.976 . . . . 0.0 108.833 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.83 -34.64 60.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.186 . . . . 0.0 109.132 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.85 -24.93 17.41 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 41.5 p -94.48 -48.22 6.21 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' OE2' ' CZ ' ' A' ' 71' ' ' ARG . 48.0 mt-10 -128.44 77.33 77.34 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.792 -0.568 . . . . 0.0 110.056 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.94 -24.54 53.09 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.287 1.325 . . . . 0.0 109.604 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.45 0.4 22.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 0.0 109.62 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -80.84 107.16 13.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -75.23 -38.33 60.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.824 . . . . 0.0 109.896 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 3.1 mp0 -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.58 -28.37 45.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.085 -1.01 . . . . 0.0 109.107 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.43 -50.85 16.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.79 -31.93 67.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.127 -0.983 . . . . 0.0 109.13 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.61 -42.65 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 108.931 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.39 -28.67 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.586 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -67.04 -42.53 84.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 0.0 109.881 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.23 -46.88 82.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.99 -52.62 37.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.608 -0.683 . . . . 0.0 109.688 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.79 -44.54 82.0 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.33 -0.856 . . . . 0.0 109.853 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 -52.55 64.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.04 78.29 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 22.3 ttm -49.46 -46.89 48.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.544 -0.722 . . . . 0.0 110.697 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.35 . . . . 0.0 109.204 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.8 p -59.55 139.54 57.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.213 -0.929 . . . . 0.0 108.916 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.55 -28.05 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 108.982 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 59.6 mt-10 -65.93 -45.72 80.81 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.049 -1.032 . . . . 0.0 109.464 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.61 -45.34 87.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.852 . . . . 0.0 110.581 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mt -65.03 -44.72 88.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.742 -1.224 . . . . 0.0 109.808 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.46 -33.58 48.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.741 -1.224 . . . . 0.0 110.008 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 29.8 ttpt -56.14 -52.31 64.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.025 -1.047 . . . . 0.0 109.535 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.66 -26.96 60.21 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.167 -0.958 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.24 -36.69 74.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' NZ ' ' OG ' ' A' ' 23' ' ' SER . 3.8 tptp -54.36 -47.94 72.02 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -57.74 -49.58 76.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.204 -0.935 . . . . 0.0 109.041 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -53.98 -33.75 57.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.4 -0.812 . . . . 0.0 109.093 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -74.27 -52.8 11.23 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.299 -0.876 . . . . 0.0 109.937 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.468 ' OG ' ' NZ ' ' A' ' 19' ' ' LYS . 10.2 m -62.58 -50.91 69.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.587 -1.32 . . . . 0.0 110.421 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' SER . 63.6 mt-10 -58.37 -38.95 78.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.044 -1.035 . . . . 0.0 108.968 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 28' ' ' GLY . 39.0 tttm -69.83 -40.53 75.79 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.72 70.97 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -14.86 27.28 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 92.27 14.92 55.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' GLU . 54.9 m -153.7 123.54 6.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.266 -1.138 . . . . 0.0 109.727 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.87 123.8 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.503 -0.748 . . . . 0.0 109.738 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -72.58 140.07 47.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.45 -0.781 . . . . 0.0 109.363 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -56.9 -28.64 62.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.188 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 34' ' ' THR . 97.8 p -54.95 -48.49 73.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.865 . . . . 0.0 109.48 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.465 ' H ' ' HG ' ' A' ' 33' ' ' SER . 6.0 m -63.8 -46.64 84.25 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.165 -0.96 . . . . 0.0 109.189 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.02 -39.3 66.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 20.6 m-85 -66.65 -52.38 45.63 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.179 -0.95 . . . . 0.0 110.718 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 1.5 mp0 -72.42 -14.74 61.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.024 -1.047 . . . . 0.0 110.115 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -77.58 -34.61 53.58 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.977 -1.077 . . . . 0.0 108.977 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -72.89 -36.17 67.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.278 -0.889 . . . . 0.0 109.117 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.644 ' HE1' ' NH2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -56.44 -53.02 62.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.997 -1.064 . . . . 0.0 108.396 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.8 m -53.86 -40.9 66.93 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.631 -0.668 . . . . 0.0 110.196 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.7 mt -76.55 -38.43 55.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 71.3 t -53.0 -19.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.116 -0.99 . . . . 0.0 108.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.644 ' NH2' ' HE1' ' A' ' 40' ' ' TRP . 50.1 mtm180 -119.09 16.67 13.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.025 -0.422 . . . . 0.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 47' ' ' TYR . 2.3 m -73.59 16.03 0.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.761 -1.212 . . . . 0.0 110.728 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 44' ' ' ARG . 78.8 tttt 60.58 -35.65 0.08 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.249 -0.907 . . . . 0.0 111.392 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.54 ' H ' ' C ' ' A' ' 45' ' ' SER . 69.8 m-85 -79.08 142.31 36.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.618 -1.301 . . . . 0.0 109.42 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 49' ' ' ASP . 2.7 p-10 -70.71 -47.0 62.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.289 -0.882 . . . . 0.0 110.188 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 36.2 t70 -52.34 -39.47 60.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 110.747 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.59 -31.2 63.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.82 -1.175 . . . . 0.0 109.376 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.48 -43.51 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.935 -1.103 . . . . 0.0 108.75 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -51.77 -44.12 63.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -64.39 -38.86 92.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.81 69.4 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 55' ' ' ILE . 11.4 mm -58.37 -54.85 27.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 120.984 -1.303 . . . . 0.0 108.424 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 t -53.24 -51.05 43.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.5 mt -48.88 -47.65 42.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.402 -0.811 . . . . 0.0 109.816 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.25 -43.69 40.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.694 -1.254 . . . . 0.0 110.29 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -52.53 -41.65 63.66 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.772 -1.205 . . . . 0.0 110.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.31 -31.59 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.0 109.695 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.9 mt -76.02 -30.83 58.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.233 -0.917 . . . . 0.0 111.247 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.8 mp -51.75 -55.06 33.34 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 120.728 -1.233 . . . . 0.0 111.374 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.2 Cg_exo -54.08 -25.26 36.29 Favored 'Trans proline' 0 C--N 1.321 -0.877 0 CA-C-N 119.396 0.82 . . . . 0.0 110.12 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.57 49.48 0.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.302 -0.874 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 157.92 27.5 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -76.06 -170.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 0.0 109.319 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.3 -38.3 65.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.024 -1.048 . . . . 0.0 109.575 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.97 -42.24 63.53 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.64 -39.26 73.37 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -64.52 -45.45 87.16 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.852 . . . . 0.0 109.511 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -50.05 -31.72 13.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.008 -1.058 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -76.5 -41.19 47.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.903 -1.123 . . . . 0.0 109.234 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m-85 -73.54 -39.49 64.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.888 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -33.39 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -65.94 -48.56 70.97 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.479 -0.763 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.35 -39.94 89.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.835 -1.165 . . . . 0.0 110.179 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.16 -24.47 66.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.365 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.78 -34.56 60.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.142 -0.973 . . . . 0.0 109.12 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.59 -35.86 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.686 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.93 -44.34 94.7 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -67.99 -29.19 68.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.178 -1.189 . . . . 0.0 109.754 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -62.65 -38.75 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 85' ' ' LYS . 70.5 mtt180 -75.25 -43.59 50.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.996 -1.065 . . . . 0.0 110.049 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.559 ' C ' ' H ' ' A' ' 86' ' ' GLU . 73.5 mt -64.13 29.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.904 -1.122 . . . . 0.0 110.621 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.603 ' H ' ' C ' ' A' ' 83' ' ' ARG . 19.2 mtpp 63.2 -34.11 0.13 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.131 -0.981 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.06 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.649 -1.282 . . . . 0.0 108.825 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 58.5 m-85 -84.59 -38.67 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.386 -0.821 . . . . 0.0 110.307 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.86 -47.46 68.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.077 -1.015 . . . . 0.0 110.888 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -55.44 -52.53 63.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.834 -1.166 . . . . 0.0 109.788 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.77 55.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 108.671 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.82 -19.4 58.96 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.7 -46.88 18.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.513 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -65.65 -48.94 70.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -0.853 . . . . 0.0 110.197 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.01 -39.86 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.935 . . . . 0.0 109.785 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -57.14 -34.73 68.7 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.708 -1.245 . . . . 0.0 108.065 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.87 95.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 101' ' ' GLU . 2.7 mm? -57.32 -39.07 75.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.225 -1.162 . . . . 0.0 108.969 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 100' ' ' THR . 10.4 mt -76.36 -50.01 15.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.142 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -54.49 -16.55 2.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.791 -1.193 . . . . 0.0 107.786 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.542 ' HG1' ' H ' ' A' ' 101' ' ' GLU . 23.5 p -103.46 -48.7 3.9 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.625 0.726 . . . . 0.0 109.207 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.542 ' H ' ' HG1' ' A' ' 100' ' ' THR . 69.0 mm-40 -138.35 83.24 21.76 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.834 -0.541 . . . . 0.0 109.941 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 5.1 Cg_exo -61.26 -15.58 41.08 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.053 1.169 . . . . 0.0 109.432 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -82.09 -2.73 52.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.431 -0.793 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -82.52 106.26 14.24 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -74.6 -31.51 62.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.0 109.904 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.86 -32.6 65.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.92 -27.77 43.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 108.903 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 88.3 mttt -75.3 -50.6 15.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.849 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.61 -34.64 69.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.129 -0.982 . . . . 0.0 109.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.37 -44.48 91.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 108.719 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.17 -33.64 67.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 108.465 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.23 -50.78 70.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.48 -0.762 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.45 -46.8 83.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 67.7 mt -63.14 -42.3 96.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.532 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -72.71 -45.06 60.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.905 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -56.92 -38.56 73.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.674 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.68 76.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 108.418 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.2 mtt -46.96 -48.32 21.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 109.918 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.547 -1.346 . . . . 0.0 109.239 179.613 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.333 0.587 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 145.78 53.2 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.24 -28.46 14.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.074 -1.016 . . . . 0.0 108.672 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 14.5 mm-40 -66.61 -44.81 81.06 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.44 -46.52 79.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -44.0 95.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.937 -1.102 . . . . 0.0 109.932 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.45 -37.53 51.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.929 -1.107 . . . . 0.0 109.451 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' NZ ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.97 -46.73 75.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.966 . . . . 0.0 109.023 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 19.5 m-85 -74.85 -27.9 60.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.098 -1.001 . . . . 0.0 108.822 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.34 -37.14 74.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -54.07 -45.87 71.86 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -56.72 -48.01 78.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.018 -1.051 . . . . 0.0 108.435 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.59 -33.41 66.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.245 -0.909 . . . . 0.0 109.233 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -73.1 -52.39 14.43 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.412 -0.805 . . . . 0.0 109.692 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 m -64.65 -47.71 77.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.777 -1.202 . . . . 0.0 109.971 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' SER . 52.1 mm-40 -57.58 -40.41 78.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.121 -0.987 . . . . 0.0 108.891 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLY . 72.9 tttt -71.22 -37.35 72.05 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.936 . . . . 0.0 108.774 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -41.55 71.26 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -14.96 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 91.68 16.69 51.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.7 m -156.67 123.41 5.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.441 -1.035 . . . . 0.0 109.514 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.0 121.55 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.536 -0.727 . . . . 0.0 109.523 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -71.69 138.97 48.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.809 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.14 -31.45 65.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.088 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -54.14 -49.13 69.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.485 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.1 m -64.88 -44.67 88.9 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.122 -0.986 . . . . 0.0 109.135 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -55.2 -37.31 66.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 109.517 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 21.9 m-85 -69.85 -51.32 34.48 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.226 -0.921 . . . . 0.0 110.583 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 67.0 mt-10 -72.02 -16.05 62.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.129 -0.982 . . . . 0.0 110.613 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -78.91 -34.42 44.66 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 109.108 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.29 69.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.194 -0.941 . . . . 0.0 108.996 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.494 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.9 -52.93 63.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 108.4 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -53.05 -38.9 62.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.137 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.09 -39.78 48.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.915 -1.115 . . . . 0.0 110.35 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.7 t -53.1 -21.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 O-C-N 121.101 -0.999 . . . . 0.0 109.925 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -117.14 31.02 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.741 -0.599 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 p -85.12 159.26 20.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 109.575 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 45.7 tttp -82.23 34.64 0.42 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.292 -0.88 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 39.7 m-85 -150.64 141.75 23.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.15 -0.969 . . . . 0.0 109.273 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -71.38 -45.78 61.97 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 0.0 110.28 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 35.3 p-10 -50.73 -35.46 31.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.017 -1.052 . . . . 0.0 110.749 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 4.2 m-20 -74.25 -34.3 63.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.931 -1.105 . . . . 0.0 109.436 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -76.96 -52.92 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.823 -1.173 . . . . 0.0 109.581 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -25.19 9.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -80.18 -41.92 24.38 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.66 -40.55 96.63 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.64 -42.98 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 O-C-N 120.815 -1.403 . . . . 0.0 108.08 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 99.3 t -61.37 -47.88 91.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.117 -0.989 . . . . 0.0 108.552 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.5 mt -48.5 -48.83 37.85 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.688 -0.632 . . . . 0.0 110.025 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.48 -37.74 74.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.773 -1.205 . . . . 0.0 110.087 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.29 -43.45 64.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.063 -1.023 . . . . 0.0 110.212 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -71.97 -29.67 64.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.074 -1.016 . . . . 0.0 109.749 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.51 -30.36 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.125 -0.984 . . . . 0.0 110.936 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.3 mp -52.4 -55.94 27.18 Favored Pre-proline 0 N--CA 1.487 1.399 0 O-C-N 120.772 -1.205 . . . . 0.0 111.247 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 Cg_exo -54.88 -30.29 67.73 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.521 0.814 . . . . 0.0 110.13 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.2 33.53 1.08 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.184 -0.948 . . . . 0.0 109.772 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.57 154.8 23.83 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 44.3 t -71.68 -170.93 0.6 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -1.156 . . . . 0.0 109.247 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -74.58 -39.32 62.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.665 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 8.0 mm-40 -71.15 -48.42 51.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 108.87 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.24 -33.0 64.99 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 0.0 108.842 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 66' ' ' SER . 38.9 mt-30 -67.46 -42.51 82.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 108.878 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' OE2' ' A' ' 68' ' ' GLU . 58.9 mtm180 -52.48 -30.63 31.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.173 -0.954 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -76.26 -51.98 10.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.098 -1.001 . . . . 0.0 109.524 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.1 m-85 -61.91 -30.66 71.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.089 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.2 -39.32 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.07 -43.77 91.79 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.799 -0.563 . . . . 0.0 110.238 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -71.33 -37.49 71.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.851 -1.155 . . . . 0.0 110.101 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.94 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.616 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.8 90.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.27 -39.55 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.61 87.75 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -65.62 -26.22 67.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.248 -1.148 . . . . 0.0 109.147 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.76 -30.1 67.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.4 mmt180 -71.24 -48.44 51.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.478 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 86' ' ' GLU . 47.5 mt -67.71 45.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 109.604 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 83' ' ' ARG . 16.2 ptmt 31.17 31.3 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.207 0.527 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' LEU . 12.3 tp10 -106.39 97.03 6.88 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -85.37 -30.81 23.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.449 -0.782 . . . . 0.0 110.627 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 6.9 mp0 -66.58 -52.46 45.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.145 . . . . 0.0 110.806 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -67.74 -41.25 83.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.887 -1.133 . . . . 0.0 110.209 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.88 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 109.571 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 mp -61.53 -19.71 62.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.09 -1.006 . . . . 0.0 109.035 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -71.1 -39.06 72.34 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.935 -1.103 . . . . 0.0 108.442 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -76.31 -42.0 46.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.637 -0.664 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -32.81 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -71.18 -48.09 53.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.471 -1.393 . . . . 0.0 109.219 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.61 -31.31 80.47 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 21.5 tp -57.96 -38.69 76.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.531 -0.982 . . . . 0.0 108.918 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.0 mt -75.79 -33.58 60.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.831 -1.168 . . . . 0.0 109.579 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -53.94 -25.16 19.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 43.1 p -94.06 -48.71 6.11 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -130.36 77.69 75.67 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.793 -0.567 . . . . 0.0 110.093 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.424 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 2.3 Cg_endo -65.24 -17.28 58.04 Favored 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.307 1.338 . . . . 0.0 109.711 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -80.7 -2.83 48.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 0.0 109.708 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.05 102.46 5.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -69.98 -41.79 73.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.88 -28.5 56.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.269 -0.894 . . . . 0.0 109.391 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.56 -30.96 47.16 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.0 109.152 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 84.1 mttt -72.43 -50.82 23.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.907 . . . . 0.0 109.692 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.78 -31.42 68.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.382 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.66 -40.82 97.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -61.13 -34.16 74.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.268 -0.895 . . . . 0.0 109.423 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.701 ' HE ' ' HZ2' ' A' ' 116' ' ' LYS . 50.0 mtp180 -63.37 -43.52 97.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.0 -48.0 79.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.093 -1.005 . . . . 0.0 109.126 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.9 mt -66.58 -52.77 42.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.575 -0.703 . . . . 0.0 109.83 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.94 -41.4 78.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.701 ' HZ2' ' HE ' ' A' ' 112' ' ' ARG . 45.4 mttp -58.26 -51.87 67.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.016 . . . . 0.0 109.727 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.56 76.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.6 ttm -47.99 -47.2 33.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.585 -0.697 . . . . 0.0 110.155 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.722 -1.236 . . . . 0.0 109.205 179.668 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.269 0.557 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 m -80.51 133.69 35.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.62 -25.77 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 108.896 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 51.7 mt-10 -65.89 -46.62 77.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.232 -0.918 . . . . 0.0 108.952 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -68.04 -34.2 76.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.278 -0.889 . . . . 0.0 109.945 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -49.73 55.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.01 . . . . 0.0 109.48 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -78.44 -34.56 47.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.964 . . . . 0.0 110.512 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.5 tmmm? -52.01 -45.34 64.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.008 -1.058 . . . . 0.0 109.271 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.06 -27.39 48.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.1 -1.0 . . . . 0.0 108.845 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -55.31 -47.44 75.6 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.12 -47.96 81.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.049 -1.032 . . . . 0.0 108.76 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.03 -32.72 66.47 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.263 -0.898 . . . . 0.0 109.2 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -73.19 -52.3 14.64 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.575 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.667 ' HG ' ' N ' ' A' ' 24' ' ' GLU . 21.4 p -62.72 -48.82 77.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.789 -1.195 . . . . 0.0 110.039 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.667 ' N ' ' HG ' ' A' ' 23' ' ' SER . 16.9 mm-40 -57.66 -42.59 83.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.139 -0.976 . . . . 0.0 109.07 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -68.37 -39.91 81.63 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.204 -0.935 . . . . 0.0 108.905 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.15 74.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.16 -15.46 14.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.39 53.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.13 122.72 7.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.435 -1.038 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.52 121.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.717 . . . . 0.0 109.636 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -73.79 137.52 43.94 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.424 -0.798 . . . . 0.0 109.423 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.7 -28.66 61.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -0.892 . . . . 0.0 109.237 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 m -61.8 -49.02 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -67.53 -40.7 85.06 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.171 -0.956 . . . . 0.0 109.242 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -60.98 -45.65 93.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 108.798 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.1 m-85 -65.59 -49.83 67.35 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.525 -0.735 . . . . 0.0 110.449 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 44.5 mt-10 -70.79 -14.91 62.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.933 -1.104 . . . . 0.0 109.748 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -78.75 -37.21 41.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.166 -0.959 . . . . 0.0 109.028 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.81 -37.69 73.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.106 -0.996 . . . . 0.0 108.887 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -54.14 -51.33 64.62 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 m -53.2 -40.27 64.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.819 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.81 -42.15 34.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.026 -1.046 . . . . 0.0 110.403 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -53.28 -21.49 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 O-C-N 121.059 -1.026 . . . . 0.0 109.835 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -107.72 31.01 5.79 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.738 -0.601 . . . . 0.0 109.681 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 46' ' ' LYS . 8.5 t -96.84 159.93 14.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.991 -1.068 . . . . 0.0 109.282 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.562 ' N ' ' HG ' ' A' ' 45' ' ' SER . 72.0 tttt -79.53 -9.75 59.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -93.57 138.61 31.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.44 -47.96 58.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.0 110.015 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -32.05 20.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 110.252 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.4 -34.47 77.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.929 -1.107 . . . . 0.0 108.956 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.4 mt -79.68 -47.11 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.869 -1.144 . . . . 0.0 108.466 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 52' ' ' ARG . 3.0 ttt-85 -55.54 -27.84 51.29 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -83.64 -46.97 11.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.07 91.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 55' ' ' ILE . 65.0 mt -65.08 -44.42 95.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.057 -1.26 . . . . 0.0 108.83 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.08 -48.35 88.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.7 mt -49.53 -43.65 45.83 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 120.316 -0.554 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.36 -45.37 55.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.705 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -52.65 -35.62 55.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.19 -0.944 . . . . 0.0 110.288 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.7 -35.03 65.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.089 -1.007 . . . . 0.0 110.361 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.62 -29.19 56.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.137 -0.977 . . . . 0.0 110.925 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 mp -50.98 -56.03 23.05 Favored Pre-proline 0 N--CA 1.487 1.398 0 O-C-N 120.759 -1.213 . . . . 0.0 110.9 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.6 Cg_exo -54.23 -27.78 49.03 Favored 'Trans proline' 0 C--N 1.323 -0.777 0 N-CA-C 110.033 -0.795 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -93.34 26.33 2.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.223 -0.923 . . . . 0.0 109.494 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.22 154.54 20.88 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -73.92 -169.25 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -1.114 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -74.36 -38.29 63.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.053 . . . . 0.0 109.695 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.96 -49.49 51.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.191 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.58 -32.65 69.15 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.303 -0.873 . . . . 0.0 109.075 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.24 -45.93 78.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.133 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -52.43 -30.8 31.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.938 . . . . 0.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.19 -51.91 11.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.012 -1.055 . . . . 0.0 109.566 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.1 m-85 -61.8 -33.84 74.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.079 -1.013 . . . . 0.0 109.185 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.87 -39.57 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.57 -46.57 88.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.764 -0.585 . . . . 0.0 110.572 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -68.13 -37.75 81.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.706 -1.246 . . . . 0.0 110.246 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -43.65 96.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.6 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.111 -0.993 . . . . 0.0 109.292 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.49 -38.39 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.09 -41.9 69.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -69.45 -27.29 65.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -1.207 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.5 t80 -71.51 -29.88 65.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 109.413 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 85' ' ' LYS . 61.1 ttt180 -72.94 -42.71 63.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.113 -0.992 . . . . 0.0 109.976 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 86' ' ' GLU . 74.5 mt -70.36 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.965 -1.084 . . . . 0.0 109.926 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.3 mtpt 58.85 -0.59 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 0.0 110.061 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.07 94.6 4.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.026 . . . . 0.0 108.698 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.72 -36.43 21.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.94 -50.77 69.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.76 -45.77 88.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.977 . . . . 0.0 109.903 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.5 73.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 mp -58.83 -18.35 31.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.157 -0.964 . . . . 0.0 109.021 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.87 -39.73 61.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.827 -1.17 . . . . 0.0 108.525 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -76.21 -37.8 57.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 110.13 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -31.69 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.301 -178.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -75.25 -48.24 24.28 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.468 -1.395 . . . . 0.0 109.206 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.42 -28.64 71.44 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.3 -38.8 92.58 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.5 -1.0 . . . . 0.0 108.354 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.88 -29.66 44.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.016 -1.053 . . . . 0.0 110.67 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -53.74 -37.36 63.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -34.45 16.58 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -133.91 73.98 69.96 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.607 -0.683 . . . . 0.0 109.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.0 -18.67 57.44 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.444 1.429 . . . . 0.0 109.727 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.41 -4.8 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.275 -0.891 . . . . 0.0 109.961 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -74.66 104.52 5.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.485 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -74.46 -40.55 61.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.44 -28.48 59.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.179 -0.95 . . . . 0.0 109.424 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.33 -27.27 47.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.073 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -74.33 -50.73 17.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.82 -32.67 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.42 -43.59 98.6 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.8 -34.14 75.37 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -57.04 -45.02 83.5 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.54 -0.725 . . . . 0.0 109.653 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.36 -46.26 83.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.176 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 52.6 mt -66.45 -46.55 86.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.386 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -54.95 -41.71 71.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.734 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.4 -49.99 72.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 0.0 109.858 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.53 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.149 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.8 mtp -47.98 -48.43 32.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.542 -0.724 . . . . 0.0 110.209 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? . . . . . 0 N--CA 1.489 1.512 0 O-C-N 120.522 -1.362 . . . . 0.0 109.105 179.799 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -81.04 141.29 34.52 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.41 -26.86 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 108.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 81.4 mm-40 -65.93 -45.85 80.34 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.98 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.69 -46.04 84.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.264 -0.898 . . . . 0.0 110.423 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.53 91.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.98 -1.075 . . . . 0.0 109.709 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.39 -36.91 45.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 32.9 ttpt -51.84 -54.27 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.986 -1.071 . . . . 0.0 108.989 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.04 -25.83 64.67 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 108.981 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.31 -35.77 73.87 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -53.96 -47.09 71.69 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -62.36 -48.98 77.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.975 . . . . 0.0 108.794 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -53.65 -37.16 62.85 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.131 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -72.36 -52.53 15.68 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.488 -0.758 . . . . 0.0 109.935 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.91 -50.16 74.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.762 -1.211 . . . . 0.0 109.829 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 29' ' ' SER . 11.8 mm-40 -58.41 -52.0 67.47 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.096 -1.002 . . . . 0.0 108.933 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.6 ttpt -57.16 -41.06 78.48 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.171 -0.956 . . . . 0.0 108.933 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.78 64.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -14.85 34.03 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.75 10.68 46.07 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -153.75 159.1 41.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -1.033 . . . . 0.0 109.191 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.84 123.68 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.372 -0.83 . . . . 0.0 109.426 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.0 m -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 109.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -57.75 -35.72 71.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.306 -0.871 . . . . 0.0 109.166 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.6 t -55.41 -49.55 72.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.71 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.8 m -64.77 -39.43 93.6 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.112 -0.992 . . . . 0.0 109.02 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.532 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -62.28 -37.1 84.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 108.874 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 15.1 m-85 -68.91 -51.31 41.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.293 -0.879 . . . . 0.0 110.464 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 96.1 mt-10 -68.76 -14.27 62.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.853 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -79.24 -34.65 42.55 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.391 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.26 -34.69 68.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.059 -1.026 . . . . 0.0 108.917 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.71 -53.19 60.64 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.268 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.9 m -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.22 -55.94 4.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -54.65 -18.25 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.758 -1.214 . . . . 0.0 109.913 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -102.69 19.25 19.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 109.068 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 32.0 t -85.25 -151.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.18 -0.95 . . . . 0.0 109.599 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 45' ' ' SER . 9.0 ptmm? -138.99 39.67 2.14 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.357 -0.84 . . . . 0.0 109.14 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -152.82 131.04 11.97 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -59.49 -39.21 83.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.391 -0.818 . . . . 0.0 111.555 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.79 -44.33 63.4 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.656 -1.277 . . . . 0.0 111.027 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -74.67 -45.2 46.14 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.971 -1.081 . . . . 0.0 109.312 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.13 -48.26 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.746 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -54.63 -30.11 53.97 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -85.4 -40.52 16.37 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.03 -30.83 76.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.66 -42.93 62.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -1.122 . . . . 0.0 109.108 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.17 -44.03 91.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 O-C-N 121.221 -0.925 . . . . 0.0 108.682 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.6 mt -49.06 -46.9 45.12 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.707 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.1 -42.59 46.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.933 -1.105 . . . . 0.0 109.98 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -51.19 -42.22 60.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -0.996 . . . . 0.0 109.891 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -73.34 -32.02 64.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 109.94 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 mt -77.79 -29.67 50.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.99 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.5 mp -51.76 -55.59 28.69 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.779 -1.201 . . . . 0.0 111.181 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.4 Cg_exo -52.17 -18.1 6.96 Favored 'Trans proline' 0 C--N 1.321 -0.875 0 CA-C-N 119.258 0.771 . . . . 0.0 110.364 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 58.25 0.7 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.413 -0.804 . . . . 0.0 110.072 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.12 161.15 29.24 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -70.14 -176.57 1.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -1.182 . . . . 0.0 109.031 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -74.55 -41.08 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.999 -1.063 . . . . 0.0 109.516 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.82 -37.41 62.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.74 -39.23 84.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -65.32 -41.74 93.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.079 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -52.55 -30.69 32.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.404 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.32 -52.05 10.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 109.333 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.8 m-85 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 108.986 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.1 t -60.68 -41.3 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 108.842 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 65.3 t80 -59.23 -47.61 84.69 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.671 -0.643 . . . . 0.0 110.788 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -65.46 -36.85 85.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.738 -1.226 . . . . 0.0 110.665 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.72 -44.1 93.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 109.697 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.23 70.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.41 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.75 -42.98 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.066 -1.021 . . . . 0.0 110.112 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.47 90.31 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.11 -30.25 60.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.187 -1.184 . . . . 0.0 109.638 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -63.21 -31.7 72.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.332 -0.855 . . . . 0.0 109.115 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 85' ' ' LYS . 56.5 mtp180 -76.5 -42.88 41.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.313 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 86' ' ' GLU . 64.3 mt -70.23 33.84 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.2 tttp 63.65 -31.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.277 -0.89 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 84' ' ' LEU . 43.2 mt-10 -49.83 95.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.732 -1.23 . . . . 0.0 108.742 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.6 m-85 -83.82 -42.59 16.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.0 110.751 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.83 -42.4 63.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.895 . . . . 0.0 110.672 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -54.26 -48.97 70.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.891 -1.131 . . . . 0.0 108.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.63 69.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.283 -0.886 . . . . 0.0 109.004 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.62 -21.43 61.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.485 -0.76 . . . . 0.0 109.305 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.51 -36.21 57.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.366 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -75.27 -40.9 58.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.65 -0.656 . . . . 0.0 109.754 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -34.67 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.319 -0.863 . . . . 0.0 110.584 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -71.57 -48.0 51.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.457 -1.402 . . . . 0.0 109.841 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.11 76.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.02 -37.56 77.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.652 -0.91 . . . . 0.0 109.075 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.9 mt -75.66 -28.91 58.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.73 -1.231 . . . . 0.0 109.917 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 3.2 tp60 -57.93 -28.62 64.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 60.7 p -87.95 -50.58 6.33 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.647 -0.658 . . . . 0.0 109.667 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -130.7 78.02 74.59 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.667 -0.645 . . . . 0.0 110.153 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.524 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 5.8 Cg_exo -62.7 -13.42 33.88 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 C-N-CA 121.212 1.275 . . . . 0.0 109.517 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -81.67 -3.25 53.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.799 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -76.85 97.0 4.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 109.587 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -65.83 -43.67 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.889 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' NE2' ' CZ ' ' A' ' 75' ' ' PHE . 4.8 tt0 -55.24 -28.13 51.16 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.311 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.18 -27.97 42.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.148 -0.97 . . . . 0.0 109.048 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 64.4 mttm -73.72 -50.42 20.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.852 . . . . 0.0 109.611 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.3 -37.46 72.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.14 -0.975 . . . . 0.0 109.26 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.96 -38.55 91.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.095 -1.003 . . . . 0.0 108.78 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.28 -32.61 74.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.855 . . . . 0.0 108.788 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -63.19 -47.02 84.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.496 -0.753 . . . . 0.0 109.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.54 -44.6 93.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 109.599 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.72 -45.7 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 109.618 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.2 -46.2 71.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.278 -0.889 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -70.26 -51.0 33.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 110.98 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.45 69.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.6 -1.313 . . . . 0.0 108.363 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 10.5 ttp -52.75 -30.23 31.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 110.207 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.7 mttm . . . . . 0 N--CA 1.489 1.482 0 O-C-N 120.78 -1.2 . . . . 0.0 108.937 179.282 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.221 0.534 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 13' ' ' ASP . 96.8 p -63.75 130.94 46.27 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.268 -0.895 . . . . 0.0 109.181 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -47.58 -25.28 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.273 -0.892 . . . . 0.0 109.084 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 12' ' ' GLU . 2.1 mp0 -70.99 -44.26 66.31 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.133 -0.979 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' H ' ' HG ' ' A' ' 10' ' ' SER . 9.1 t70 -62.55 -42.12 99.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.855 . . . . 0.0 110.714 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.23 -43.73 60.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.883 -1.136 . . . . 0.0 109.832 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 mt -78.34 -19.09 54.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.753 -1.217 . . . . 0.0 110.094 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.3 ttpt -68.74 -50.86 47.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.015 -1.053 . . . . 0.0 109.84 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.96 -26.59 54.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.969 -1.082 . . . . 0.0 109.497 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' OE2' ' CE1' ' A' ' 38' ' ' TYR . 5.8 tp10 -73.96 -33.88 64.05 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -54.36 -48.86 70.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 6.0 mtpp -58.34 -47.45 83.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.033 -1.042 . . . . 0.0 108.568 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -53.41 -32.44 49.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -73.19 -52.92 12.34 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.663 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.3 m -65.56 -47.43 75.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 110.033 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.01 -38.98 77.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.117 -0.989 . . . . 0.0 108.961 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -72.6 -37.19 68.2 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.158 -0.964 . . . . 0.0 108.749 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.93 72.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.63 12.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.0 17.0 53.18 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.5 m -153.86 121.33 5.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.514 -0.992 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.24 121.79 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.45 -0.781 . . . . 0.0 109.759 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -71.01 139.56 50.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.357 -0.839 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -56.17 -32.35 64.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.22 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -54.1 -49.1 69.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.555 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -65.39 -41.62 93.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.141 -0.974 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -58.1 -41.23 83.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.185 -0.947 . . . . 0.0 109.27 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 22.8 m-85 -68.06 -50.9 52.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.422 -0.799 . . . . 0.0 110.313 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.27 -14.71 61.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.123 -0.986 . . . . 0.0 110.453 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 20.3 t80 -77.01 -37.31 55.31 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.676 -1.265 . . . . 0.0 109.211 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -37.37 69.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 109.301 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -47.74 75.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.884 -1.135 . . . . 0.0 108.095 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.8 m -54.71 -42.35 71.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.459 -0.775 . . . . 0.0 109.64 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.1 -41.31 35.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.193 -0.942 . . . . 0.0 110.766 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -52.83 -20.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.952 -1.093 . . . . 0.0 109.816 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.4 OUTLIER -113.71 27.42 9.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 0.0 109.414 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -87.07 158.47 19.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.929 -1.107 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -73.97 -11.84 60.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -94.77 136.68 34.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' OD1' ' A' ' 49' ' ' ASP . 13.1 p-10 -70.63 -48.65 53.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 110.017 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -52.22 -27.51 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.037 -1.04 . . . . 0.0 110.267 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.9 -29.92 69.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.963 -1.085 . . . . 0.0 108.99 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -77.6 -39.17 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -54.11 -54.69 36.01 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -57.74 -45.28 86.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.52 -40.55 96.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -67.66 -38.87 81.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 120.984 -1.304 . . . . 0.0 108.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.88 -47.02 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.65 -49.07 48.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.899 -0.501 . . . . 0.0 110.09 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.88 -41.98 74.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.813 -1.18 . . . . 0.0 109.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -51.33 -39.13 56.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.034 -1.041 . . . . 0.0 109.979 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.63 -29.03 62.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.992 . . . . 0.0 109.779 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.64 -31.67 57.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.266 -0.897 . . . . 0.0 110.932 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.1 mp -53.68 -54.82 41.88 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 120.752 -1.217 . . . . 0.0 111.565 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.6 Cg_endo -56.52 -27.75 70.53 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 CA-C-N 119.553 0.876 . . . . 0.0 110.343 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.2 -4.28 57.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.165 -0.959 . . . . 0.0 110.18 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.47 154.52 20.4 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 6.7 m -68.76 -167.4 0.1 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -1.196 . . . . 0.0 108.937 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -41.18 60.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.888 -1.132 . . . . 0.0 109.342 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.54 -45.27 72.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.406 -0.809 . . . . 0.0 109.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 35.8 mt-10 -64.25 -30.09 71.16 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.142 -0.974 . . . . 0.0 109.529 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 66' ' ' SER . 32.6 mt-30 -66.77 -55.1 16.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.082 -1.011 . . . . 0.0 109.799 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -52.55 -26.63 13.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.984 -1.072 . . . . 0.0 109.613 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.98 -53.02 9.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.815 -1.178 . . . . 0.0 109.533 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 9.2 m-85 -61.99 -31.94 72.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.913 -1.117 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -59.36 -37.41 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.57 -46.13 89.83 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.824 -0.547 . . . . 0.0 110.119 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.45 -37.28 82.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.06 -45.08 96.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.0 109.612 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.9 68.84 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.08 -1.013 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.6 -38.93 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.12 -42.25 91.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -69.38 -28.04 65.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.191 -1.182 . . . . 0.0 109.653 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.34 -29.82 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 109.04 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.5 mmt180 -71.75 -44.21 64.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 0.0 109.659 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -72.17 27.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.149 -0.97 . . . . 0.0 109.914 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.6 mttp 56.42 2.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.96 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 84' ' ' LEU . 60.5 mm-40 -75.9 93.69 3.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.104 -0.998 . . . . 0.0 109.129 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.15 -36.49 22.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.27 -0.894 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.29 -50.6 72.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 0.0 109.982 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.97 -44.09 73.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.118 -0.989 . . . . 0.0 109.826 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.91 71.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mp -76.59 -19.48 57.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.556 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -73.31 -36.3 66.22 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -76.54 -39.5 52.7 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.736 -0.602 . . . . 0.0 109.95 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -31.34 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.209 -0.932 . . . . 0.0 110.675 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -70.87 -48.49 53.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.395 -1.441 . . . . 0.0 109.624 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.05 -29.51 75.56 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.94 -38.69 83.13 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.598 -0.943 . . . . 0.0 108.826 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.47 -33.72 60.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.786 -1.196 . . . . 0.0 109.378 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -53.63 -26.01 20.28 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 45.8 p -92.97 -48.61 6.44 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -128.43 77.74 76.73 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.84 -0.537 . . . . 0.0 110.075 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.34 -24.56 64.58 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.265 1.31 . . . . 0.0 109.693 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.548 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 7.6 pm0 -77.25 5.94 7.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 0.0 109.474 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -78.97 101.37 7.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.464 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -72.0 -36.94 69.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -56.8 -44.35 81.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.383 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.09 87.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.386 -0.821 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.26 -39.39 82.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.65 -51.6 67.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.131 -0.981 . . . . 0.0 109.578 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.23 -42.55 63.69 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.105 -0.997 . . . . 0.0 109.217 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.4 -49.39 77.76 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.07 -42.8 81.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 109.157 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 35.4 mt -71.68 -45.22 67.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.344 -0.848 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -42.17 84.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -55.93 -48.72 75.19 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.145 -0.972 . . . . 0.0 109.405 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.19 77.09 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.8 mmm -49.32 -47.89 46.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.446 -0.783 . . . . 0.0 110.423 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp . . . . . 0 N--CA 1.491 1.594 0 O-C-N 120.568 -1.332 . . . . 0.0 109.198 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.382 0.61 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -62.16 138.96 58.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.194 -0.941 . . . . 0.0 108.833 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.19 -25.12 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' OE2' ' N ' ' A' ' 12' ' ' GLU . 2.0 mp0 -70.3 -46.31 64.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.672 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.92 -37.27 86.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.957 . . . . 0.0 110.446 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 -44.68 57.97 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.844 -1.16 . . . . 0.0 109.402 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -78.18 -26.6 47.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.888 -1.133 . . . . 0.0 109.589 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.3 tmmm? -62.69 -44.38 96.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 109.021 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -78.17 -27.4 48.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.0 108.754 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -70.75 -37.91 73.45 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.36 -47.84 75.14 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -56.83 -46.7 81.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.096 -1.002 . . . . 0.0 108.813 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -53.5 -34.44 58.1 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.349 -0.844 . . . . 0.0 109.545 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -72.49 -53.64 11.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.135 -0.978 . . . . 0.0 109.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.586 ' HG ' ' N ' ' A' ' 24' ' ' GLU . 60.0 p -57.73 -50.05 74.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.798 -1.189 . . . . 0.0 109.756 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.586 ' N ' ' HG ' ' A' ' 23' ' ' SER . 13.3 mm-40 -58.64 -49.52 77.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.178 -0.951 . . . . 0.0 109.009 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -64.97 -39.28 93.24 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.24 -0.913 . . . . 0.0 108.968 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.17 72.64 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.57 -15.0 15.48 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.57 16.92 51.2 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 m -153.68 123.88 6.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.46 -1.023 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.99 118.83 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.516 -0.74 . . . . 0.0 109.688 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -70.16 137.8 51.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.458 -0.776 . . . . 0.0 109.413 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -57.95 -17.75 19.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.325 -0.859 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 t -66.95 -49.08 66.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.364 -0.835 . . . . 0.0 109.89 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -71.76 -37.33 70.54 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.065 -1.022 . . . . 0.0 109.19 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -56.64 -48.25 77.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 108.904 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.4 m-85 -64.0 -50.27 69.18 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.571 -0.706 . . . . 0.0 110.209 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.34 -13.51 62.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 109.826 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.523 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 52.2 t80 -80.55 -34.76 35.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.106 -0.996 . . . . 0.0 109.714 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.48 69.99 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.795 -1.191 . . . . 0.0 108.509 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.621 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.66 -52.48 65.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 108.843 179.426 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' TYR . 13.7 p -53.92 -38.8 65.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.875 . . . . 0.0 109.946 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 12.3 mt -77.57 -41.58 38.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.131 -0.981 . . . . 0.0 110.239 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.6 t -53.22 -19.29 2.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.039 -1.038 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.621 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 47.0 mtm180 -113.74 27.78 9.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.796 -0.565 . . . . 0.0 109.617 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.716 ' HG ' ' H ' ' A' ' 47' ' ' TYR . 12.6 t -88.78 167.06 13.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.999 -1.063 . . . . 0.0 109.389 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' N ' ' HG ' ' A' ' 45' ' ' SER . 54.6 tttp -81.57 -10.85 59.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.309 -0.869 . . . . 0.0 109.406 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.716 ' H ' ' HG ' ' A' ' 45' ' ' SER . 72.2 m-85 -97.03 138.21 34.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 18.4 p-10 -70.97 -48.6 52.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.872 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.44 -27.55 10.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.048 -1.033 . . . . 0.0 110.188 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.41 -29.68 70.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.076 -1.015 . . . . 0.0 108.638 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.78 -41.84 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 108.871 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.74 -26.07 31.74 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -87.49 -45.88 10.1 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.859 . . . . 0.0 108.788 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.34 -31.1 72.81 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.64 -43.47 54.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.213 -1.169 . . . . 0.0 108.802 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.79 -46.54 88.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.5 mt -49.44 -45.77 46.94 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.727 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.52 -42.0 68.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.943 -1.098 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -53.7 -35.19 60.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.052 -1.03 . . . . 0.0 110.056 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -73.82 -35.31 64.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.997 . . . . 0.0 110.359 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.93 -29.32 55.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.144 -0.973 . . . . 0.0 110.938 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 mp -51.11 -55.81 25.18 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 120.816 -1.178 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.2 Cg_exo -53.03 -27.17 35.08 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 120.514 0.809 . . . . 0.0 110.319 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -99.14 29.87 3.7 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.171 -0.956 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.38 152.7 19.25 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 40.7 t -70.1 -171.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -1.149 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -74.25 -39.15 63.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.977 -1.077 . . . . 0.0 109.438 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -71.32 -45.98 61.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.312 -0.868 . . . . 0.0 108.79 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.46 -34.69 71.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.461 -0.775 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 66' ' ' SER . 37.6 mt-30 -66.36 -45.73 79.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.92 . . . . 0.0 109.382 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -52.92 -29.89 31.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.168 -0.958 . . . . 0.0 109.261 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.51 -52.75 8.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.94 -1.1 . . . . 0.0 109.567 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.3 m-85 -60.58 -32.74 71.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 108.768 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 t -60.62 -39.5 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.48 -45.92 87.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.768 -0.582 . . . . 0.0 110.327 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -67.72 -37.27 81.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.756 -1.215 . . . . 0.0 110.056 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.91 -44.98 96.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.127 -0.983 . . . . 0.0 109.594 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.24 69.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 109.256 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.68 -40.24 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.885 . . . . 0.0 109.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.93 -40.45 89.07 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.547 ' N ' HD21 ' A' ' 81' ' ' ASN . 0.9 OUTLIER -69.52 -27.22 64.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -1.125 . . . . 0.0 109.572 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.4 t80 -70.65 -30.11 66.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.295 -0.878 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.544 ' C ' ' H ' ' A' ' 85' ' ' LYS . 46.9 mtp180 -72.69 -43.96 62.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.137 -0.977 . . . . 0.0 109.961 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.3 mt -71.42 30.33 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.544 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.0 mmtm 55.06 4.75 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 84' ' ' LEU . 18.4 tp10 -80.71 90.05 5.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 108.985 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -84.54 -36.56 22.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 0.0 110.054 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.22 -51.23 70.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 110.151 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -69.51 -39.56 77.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.076 -1.015 . . . . 0.0 109.73 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.5 89.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.999 -1.063 . . . . 0.0 109.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.61 -19.66 62.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.255 -0.903 . . . . 0.0 109.09 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -75.1 -36.84 61.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.872 -1.143 . . . . 0.0 108.273 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -75.65 -40.03 56.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.716 . . . . 0.0 109.468 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.47 -31.75 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 0.0 110.942 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -72.26 -48.81 39.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.531 -1.356 . . . . 0.0 110.133 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.52 -28.97 73.62 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 12.5 tp -57.42 -44.01 84.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.637 -0.919 . . . . 0.0 108.696 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.55 -36.19 68.2 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.931 -1.106 . . . . 0.0 110.31 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -49.56 -30.65 8.92 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 74.2 p -77.59 -48.21 17.46 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.744 0.783 . . . . 0.0 108.91 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -134.63 78.48 55.84 Favored Pre-proline 0 N--CA 1.496 1.854 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -58.1 -13.96 17.49 Favored 'Trans proline' 0 C--N 1.318 -1.079 0 C-N-CA 121.203 1.269 . . . . 0.0 109.671 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -83.36 1.2 42.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 109.792 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -79.63 105.4 10.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.22 -37.71 63.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 0.0 109.888 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -56.92 -30.4 63.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.723 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.39 -29.58 47.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.01 -50.91 20.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.778 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.83 -32.44 67.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.317 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.03 -42.01 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.123 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.51 -29.27 70.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.81 -43.02 94.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.185 -0.947 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.33 -43.64 83.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.047 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.41 -50.17 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.433 -0.792 . . . . 0.0 109.599 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.58 -46.17 73.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.91 -43.84 81.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.129 -0.982 . . . . 0.0 109.805 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.36 76.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.516 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.64 -47.11 20.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.473 -0.767 . . . . 0.0 110.389 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 3.5 mptp? . . . . . 0 N--CA 1.491 1.618 0 O-C-N 120.549 -1.345 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 133.41 35.45 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.365 -0.834 . . . . 0.0 109.221 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.41 -23.19 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.286 -0.884 . . . . 0.0 108.763 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 45.8 mt-10 -70.01 -37.73 75.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.228 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 7.0 t70 -76.74 -49.44 15.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.719 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.92 -47.21 81.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.877 -1.139 . . . . 0.0 110.186 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.64 -40.53 48.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.99 -1.069 . . . . 0.0 110.329 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 33.4 ttpt -50.86 -53.39 32.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.762 -1.211 . . . . 0.0 108.92 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -65.19 -28.45 69.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.063 -1.023 . . . . 0.0 108.65 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.67 -35.2 65.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 0.0 108.574 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -54.29 -41.05 68.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -65.36 -42.2 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.314 -0.866 . . . . 0.0 108.876 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -51.06 -44.4 61.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.463 -0.773 . . . . 0.0 109.404 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -72.8 -51.43 19.0 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.216 -0.927 . . . . 0.0 110.096 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -64.31 -38.32 90.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.776 -1.202 . . . . 0.0 109.787 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 48.7 mm-40 -61.48 -50.76 71.46 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.995 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -64.15 -34.35 77.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.96 -1.088 . . . . 0.0 108.582 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.08 78.98 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 -16.3 45.87 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.74 15.04 54.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 70.2 m -153.57 156.53 38.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.285 -1.127 . . . . 0.0 109.976 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -138.17 123.69 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.426 -0.797 . . . . 0.0 109.473 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -79.65 142.25 35.73 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.492 -0.755 . . . . 0.0 109.467 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -56.78 -19.24 16.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.186 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 96.3 p -66.23 -45.24 81.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 110.28 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -64.42 -49.43 71.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.959 -1.088 . . . . 0.0 110.162 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -55.59 -50.77 69.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.951 -1.093 . . . . 0.0 109.638 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.62 -49.04 78.93 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.396 -0.815 . . . . 0.0 110.765 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -70.64 -30.76 67.47 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.127 -0.983 . . . . 0.0 110.76 -178.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -84.7 -22.63 29.69 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 109.995 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.13 16.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.095 -1.003 . . . . 0.0 110.206 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -59.22 -34.67 72.46 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.553 -1.342 . . . . 0.0 108.204 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -57.93 -40.31 80.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.211 -0.931 . . . . 0.0 110.819 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.27 -57.1 4.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.837 -1.164 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.45 -16.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.087 -1.008 . . . . 0.0 110.558 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -93.07 25.68 3.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.815 -1.178 . . . . 0.0 109.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -119.05 163.15 17.41 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -85.44 -5.95 59.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.208 -0.932 . . . . 0.0 110.686 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 3.3 m-85 -80.78 110.53 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.782 -1.199 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.664 HD22 ' NE ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -49.34 -48.5 46.54 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.924 -1.11 . . . . 0.0 110.1 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 2.6 p30 -50.68 -31.9 17.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.044 . . . . 0.0 111.187 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 51' ' ' ILE . 1.9 p30 -73.92 -31.62 63.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.712 -1.243 . . . . 0.0 109.655 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 7.0 mt -76.2 -50.32 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.133 -0.979 . . . . 0.0 109.66 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.664 ' NE ' HD22 ' A' ' 48' ' ' ASN . 3.3 mtt-85 -53.56 -54.97 29.83 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -64.43 -35.09 79.78 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.87 -38.14 88.92 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.55 -38.57 81.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 120.826 -1.396 . . . . 0.0 109.128 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.24 -45.03 96.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -50.34 -46.17 55.49 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.702 -0.624 . . . . 0.0 109.578 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.93 -47.08 63.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -53.79 -44.79 70.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.159 -0.963 . . . . 0.0 110.104 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -61.08 -31.56 71.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.152 -0.968 . . . . 0.0 110.032 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.57 -28.91 56.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.928 . . . . 0.0 111.584 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.54 -54.48 38.85 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.785 -1.197 . . . . 0.0 111.359 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.8 Cg_exo -53.47 -21.03 17.25 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 120.412 0.741 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -114.73 12.07 16.99 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.362 -0.836 . . . . 0.0 110.56 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.54 149.59 19.43 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 69' ' ' GLU . 5.2 m -68.47 -167.61 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.942 -1.328 . . . . 0.0 108.524 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.59 -47.0 28.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.642 -1.286 . . . . 0.0 109.075 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 20.1 mp0 -64.46 -35.92 82.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 109.358 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 66' ' ' SER . 50.3 mt-10 -66.79 -34.18 77.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -59.41 -45.58 91.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 108.948 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -61.6 -29.01 69.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.0 108.425 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.6 m-20 -78.79 -47.5 16.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.837 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.7 m-85 -53.02 -42.65 65.87 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -36.0 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 109.002 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -59.39 -50.21 74.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.45 -0.781 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.88 -39.56 79.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.772 -1.205 . . . . 0.0 109.963 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -59.37 -38.75 81.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.869 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.08 70.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.017 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' CG1' ' NH2' ' A' ' 83' ' ' ARG . 95.7 t -76.05 -45.2 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.277 -0.89 . . . . 0.0 109.782 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.81 -40.49 93.73 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.2 m-80 -69.26 -28.6 66.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -1.128 . . . . 0.0 109.751 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -69.76 -30.18 67.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 85' ' ' LYS . 4.0 mtt-85 -71.93 -43.07 65.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.246 -0.909 . . . . 0.0 109.712 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' C ' ' H ' ' A' ' 86' ' ' GLU . 61.3 mt -65.65 17.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.115 -0.991 . . . . 0.0 110.567 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 83' ' ' ARG . 18.6 tptt 68.46 -5.49 0.93 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.864 -1.148 . . . . 0.0 109.291 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 84' ' ' LEU . 14.5 mm-40 -75.28 95.04 3.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.227 -0.921 . . . . 0.0 109.664 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -85.31 -31.67 22.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.488 -0.758 . . . . 0.0 109.674 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.42 -41.84 93.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.18 -0.95 . . . . 0.0 109.953 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' N ' ' CD ' ' A' ' 89' ' ' LYS . 12.1 mptt -76.53 -47.29 23.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.91 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.27 69.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.109 -0.995 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.15 -54.6 44.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.771 -1.206 . . . . 0.0 108.138 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -45.07 -33.41 2.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.639 -0.663 . . . . 0.0 109.319 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -76.9 -47.3 21.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 108.833 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.58 -28.95 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -64.67 -47.39 78.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.59 -1.319 . . . . 0.0 108.756 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.96 -27.6 73.63 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 41.9 tp -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.293 -1.122 . . . . 0.0 108.874 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.7 -35.43 57.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.84 -1.162 . . . . 0.0 109.623 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.14 -27.91 16.04 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 30.0 p -88.96 -45.99 9.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.61 0.719 . . . . 0.0 109.149 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -132.71 77.34 69.35 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.933 -0.479 . . . . 0.0 109.973 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.18 -17.77 60.97 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.257 1.305 . . . . 0.0 109.545 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -81.53 -3.2 52.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.298 -0.876 . . . . 0.0 109.706 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -76.03 105.36 7.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.09 -1.006 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -73.45 -38.94 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.64 -34.68 67.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.58 74.7 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 109.282 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.04 -36.44 77.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.225 -0.922 . . . . 0.0 109.078 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -53.95 52.34 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.916 0.865 . . . . 0.0 108.997 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 25.9 tp -51.11 -39.58 56.5 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 115' ' ' ASP . 6.4 tm-20 -63.86 -30.78 71.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.0 109.446 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -72.13 -43.63 64.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.186 -0.946 . . . . 0.0 109.61 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.66 -47.08 83.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 109.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.94 -52.46 34.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.61 -0.681 . . . . 0.0 109.679 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -57.33 -45.22 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.0 109.822 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.85 -35.24 63.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.181 -0.949 . . . . 0.0 109.716 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.33 59.78 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtp -49.51 -48.57 47.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.635 -0.665 . . . . 0.0 110.829 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.5 mptm? . . . . . 0 N--CA 1.492 1.626 0 O-C-N 120.453 -1.404 . . . . 0.0 109.396 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.302 0.572 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -68.43 135.11 51.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.21 -0.932 . . . . 0.0 109.082 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.84 -23.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -0.891 . . . . 0.0 108.759 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 44.9 mt-10 -69.61 -44.93 69.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.372 -0.83 . . . . 0.0 109.088 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.08 -48.31 71.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 110.494 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.08 90.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.954 -1.091 . . . . 0.0 110.002 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.0 mt -76.71 -37.5 55.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.86 -1.15 . . . . 0.0 109.871 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.8 ttpt -52.52 -53.31 47.75 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.795 -1.191 . . . . 0.0 108.599 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.9 m-85 -65.53 -28.27 69.05 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.702 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -71.77 -36.19 70.28 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -55.25 -41.96 72.84 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.74 -42.19 67.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE2' ' CE ' ' A' ' 25' ' ' LYS . 38.7 t80 -52.41 -48.35 65.76 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.65 -49.93 35.34 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 p -58.97 -39.04 80.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.839 -1.163 . . . . 0.0 109.589 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' OE2' ' OG1' ' A' ' 34' ' ' THR . 38.5 mt-10 -58.81 -50.84 72.47 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 110.371 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' CE ' ' CE2' ' A' ' 21' ' ' PHE . 8.0 mttt -57.05 -37.53 71.92 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.593 -1.317 . . . . 0.0 108.567 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.53 79.32 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.94 56.48 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -156.83 153.53 28.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.29 -1.123 . . . . 0.0 110.027 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.21 125.37 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.479 -0.763 . . . . 0.0 109.295 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -80.44 141.78 34.93 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.438 -0.789 . . . . 0.0 109.544 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -57.11 -18.71 15.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.443 -0.786 . . . . 0.0 109.153 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 53.6 m -64.43 -48.09 76.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 0.0 110.212 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' OE2' ' A' ' 24' ' ' GLU . 6.7 m -64.29 -48.93 73.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 110.017 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -51.97 -49.77 62.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.131 . . . . 0.0 109.033 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -59.7 -48.99 79.49 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.47 -0.769 . . . . 0.0 110.666 -179.578 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.4 OUTLIER -70.93 -29.87 66.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -83.46 -26.78 29.99 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.227 -0.921 . . . . 0.0 110.285 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.91 -51.51 18.29 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.927 -1.108 . . . . 0.0 110.331 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 13.7 p-90 -57.81 -33.99 69.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.389 -1.444 . . . . 0.0 108.001 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 88.1 m -57.38 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 109.676 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.76 -58.56 3.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.969 -1.082 . . . . 0.0 111.942 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 2.8 m -54.56 -17.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.682 -1.261 . . . . 0.0 109.681 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -93.27 16.04 14.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.947 -1.096 . . . . 0.0 109.128 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' NH2' ' A' ' 83' ' ' ARG . 6.7 p -101.24 167.91 9.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 109.56 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -90.95 -3.87 56.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.645 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.57 136.11 33.92 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.121 -0.987 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -50.38 36.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.037 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -51.25 -27.73 9.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.059 -1.025 . . . . 0.0 110.387 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.89 -29.95 62.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.078 . . . . 0.0 109.574 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mt -78.02 -48.84 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.91 -1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.17 -55.49 27.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.13 -36.82 82.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -36.62 93.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.49 -40.79 80.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.963 -1.316 . . . . 0.0 109.105 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.83 -45.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -49.74 -50.04 45.78 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.837 -0.539 . . . . 0.0 109.707 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.19 -45.8 72.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 109.778 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.7 -48.9 74.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 109.968 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -54.94 -32.13 61.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.0 110.158 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.91 -27.93 55.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.181 -0.949 . . . . 0.0 111.633 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.83 -54.1 43.92 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.75 -1.219 . . . . 0.0 111.467 -177.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -56.5 -25.57 59.01 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.458 0.772 . . . . 0.0 110.217 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -103.45 1.05 31.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.189 -0.944 . . . . 0.0 110.501 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.79 151.01 20.97 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.608 ' HG ' ' H ' ' A' ' 67' ' ' LYS . 8.6 t -67.39 -168.14 0.08 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -1.23 . . . . 0.0 108.567 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.608 ' H ' ' HG ' ' A' ' 66' ' ' SER . 66.3 mttm -76.09 -47.12 25.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.678 -1.264 . . . . 0.0 109.179 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.12 -49.85 76.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.201 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -57.63 -30.37 65.31 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -55.58 -44.45 76.9 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.09 -29.86 70.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.508 -0.745 . . . . 0.0 109.369 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -74.64 -48.28 27.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 36.8 m-85 -53.03 -38.74 62.66 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.96 -36.01 71.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.489 -0.757 . . . . 0.0 108.984 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -61.84 -50.76 70.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.586 -0.696 . . . . 0.0 110.453 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -68.33 -37.75 80.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.815 -1.178 . . . . 0.0 110.096 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.13 -45.56 92.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.08 -1.012 . . . . 0.0 110.251 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.47 71.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.958 -1.089 . . . . 0.0 109.202 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.35 -39.24 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.236 -0.915 . . . . 0.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.95 -43.55 57.63 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.57 -30.22 61.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.012 -1.287 . . . . 0.0 109.521 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.3 -45.87 90.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 109.404 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 85' ' ' LYS . 12.3 ptm180 -75.07 -37.14 61.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.048 -1.032 . . . . 0.0 110.247 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -64.4 35.66 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -178.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 83' ' ' ARG . 73.8 tttt 65.56 -41.13 0.32 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 110.133 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' LEU . 7.6 mm-40 -53.01 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.99 -1.069 . . . . 0.0 108.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.9 m-85 -84.98 -40.94 16.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.732 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -70.57 -41.27 72.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -0.911 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.52 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 37.4 mttp -54.35 -48.98 70.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.825 -1.172 . . . . 0.0 109.271 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.34 66.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.136 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 95' ' ' ARG . 13.9 tp -70.34 -24.64 63.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.459 -0.775 . . . . 0.0 109.213 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.98 -34.01 44.56 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.21 -48.43 29.03 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.677 -0.639 . . . . 0.0 109.408 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.04 -29.75 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.388 -0.82 . . . . 0.0 109.843 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 15.7 mmm180 -70.82 -48.11 55.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.964 -1.085 . . . . 0.0 109.934 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.99 -28.06 73.36 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.8 tp -59.63 -39.35 84.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.718 -0.872 . . . . 0.0 108.792 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.0 -37.6 54.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.92 -1.113 . . . . 0.0 109.887 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.31 -26.24 7.18 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.0 p -89.49 -43.94 10.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 103' ' ' GLN . 58.9 mm-40 -130.67 76.19 77.7 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 122.037 -0.414 . . . . 0.0 110.38 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.64 42.67 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.473 1.449 . . . . 0.0 109.484 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' A' ' 101' ' ' GLU . 36.7 mt-30 -141.4 -7.45 1.01 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.288 -0.882 . . . . 0.0 109.721 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -75.36 99.66 4.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.592 ' H ' HD21 ' A' ' 105' ' ' ASN . 1.8 m-80 -61.86 -40.82 96.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.885 . . . . 0.0 109.811 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.68 -28.95 61.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.01 48.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.16 -50.38 22.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.317 -0.864 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.73 -30.11 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.18 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.12 -43.49 98.25 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.21 -0.931 . . . . 0.0 108.76 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -53.06 -43.25 66.54 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.112 -0.992 . . . . 0.0 108.729 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.11 -51.8 63.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.56 -52.83 63.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.335 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 114' ' ' ILE . 74.5 mt -57.95 -49.8 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 0.0 110.009 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.37 -39.4 78.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 110.642 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.4 -43.13 91.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.993 -1.067 . . . . 0.0 110.795 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.27 70.15 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.623 -1.298 . . . . 0.0 108.736 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.1 mtm -49.21 -46.81 46.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 110.162 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 120.619 -1.301 . . . . 0.0 109.117 179.563 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.267 0.556 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -72.29 133.88 45.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.199 -0.938 . . . . 0.0 108.909 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -48.46 -24.22 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.131 -0.981 . . . . 0.0 109.009 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.6 mm-40 -69.91 -45.25 67.96 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.308 -0.87 . . . . 0.0 109.739 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.89 97.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 0.0 111.053 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.09 -41.39 61.75 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.764 -1.21 . . . . 0.0 110.136 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.05 -38.6 44.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.657 -1.277 . . . . 0.0 109.585 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tmmm? -52.45 -46.71 66.58 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 108.929 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.54 -26.99 58.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.559 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -54.59 -46.33 73.76 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 26.7 mttp -60.23 -48.36 82.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.44 -39.68 64.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -51.32 19.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.186 -0.946 . . . . 0.0 110.388 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 m -63.23 -42.27 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.685 -1.26 . . . . 0.0 110.154 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -57.04 -48.1 79.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.175 -0.953 . . . . 0.0 109.863 -179.093 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.27 -34.57 77.96 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.841 -1.162 . . . . 0.0 108.895 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.69 78.64 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -14.92 24.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.39 16.39 55.46 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 60.0 m -154.63 157.62 38.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -1.107 . . . . 0.0 109.867 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.23 123.86 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 109.652 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -75.26 152.08 38.31 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.614 0.721 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -63.9 -18.29 64.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.593 -0.692 . . . . 0.0 109.784 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 34' ' ' THR . 94.2 p -68.55 -48.59 63.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 110.112 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.484 ' H ' ' HG ' ' A' ' 33' ' ' SER . 7.3 m -64.27 -43.61 94.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.172 -0.955 . . . . 0.0 109.926 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.05 -39.67 82.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.091 -1.006 . . . . 0.0 110.179 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 1.7 m-85 -69.43 -50.9 41.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.086 -1.009 . . . . 0.0 110.647 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -72.26 -16.29 61.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.892 -1.13 . . . . 0.0 110.045 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -79.66 -32.23 41.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.182 -0.949 . . . . 0.0 108.984 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.3 69.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.263 -0.898 . . . . 0.0 108.837 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.95 -52.55 63.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 108.247 179.52 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.7 -39.37 65.11 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.442 -0.786 . . . . 0.0 109.99 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.45 -41.04 33.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.094 -1.004 . . . . 0.0 110.526 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -52.93 -20.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.078 -1.013 . . . . 0.0 109.44 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -120.49 33.28 5.65 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t -87.74 174.01 8.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.084 -1.01 . . . . 0.0 109.488 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' N ' ' OG ' ' A' ' 45' ' ' SER . 46.1 mtpt -85.71 -10.98 54.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.352 -0.843 . . . . 0.0 109.44 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.2 140.54 34.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.878 . . . . 0.0 109.425 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' C ' HD21 ' A' ' 48' ' ' ASN . 0.3 OUTLIER -71.33 -49.0 46.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.224 -0.922 . . . . 0.0 109.795 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.41 -26.23 7.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.049 -1.032 . . . . 0.0 110.221 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.6 -31.34 71.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 0.0 108.896 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -79.05 -44.64 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.005 -1.059 . . . . 0.0 108.945 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.48 -31.09 55.09 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -82.02 -44.3 16.83 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.73 94.89 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -41.98 90.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 O-C-N 120.957 -1.319 . . . . 0.0 109.105 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.93 -47.81 91.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -49.53 -45.24 47.12 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.873 -0.517 . . . . 0.0 109.707 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.23 -45.77 54.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.958 -1.089 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -51.94 -43.51 63.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.146 -0.971 . . . . 0.0 110.213 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.152 -0.968 . . . . 0.0 110.51 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.7 -29.45 56.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.002 -1.062 . . . . 0.0 111.324 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -50.78 -55.15 29.37 Favored Pre-proline 0 N--CA 1.486 1.359 0 O-C-N 120.664 -1.273 . . . . 0.0 111.077 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -54.51 -26.56 45.74 Favored 'Trans proline' 0 C--N 1.322 -0.853 0 N-CA-C 110.004 -0.806 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -97.37 37.19 1.37 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.252 -0.905 . . . . 0.0 109.576 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.88 26.06 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -75.95 -170.27 1.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.17 -39.47 63.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 2.2 tm-20 -72.59 -46.5 53.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.588 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -56.3 -29.81 61.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -73.6 -38.2 65.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.3 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.583 ' CG ' HH11 ' A' ' 71' ' ' ARG . 3.0 mtt-85 -52.47 -37.44 57.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.181 -0.949 . . . . 0.0 109.796 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -76.15 -51.63 11.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.991 -1.068 . . . . 0.0 109.863 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.521 ' CE1' ' OD2' ' A' ' 72' ' ' ASP . 2.7 m-85 -55.95 -39.0 71.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.886 -1.134 . . . . 0.0 109.399 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.43 -36.43 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 108.732 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -58.5 -45.53 88.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.613 -0.68 . . . . 0.0 110.227 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -71.04 -35.98 72.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.857 -1.152 . . . . 0.0 110.106 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.28 -44.95 94.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.614 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.84 -34.08 75.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.083 -1.011 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.73 -37.87 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.46 -43.41 53.66 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.03 -28.51 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.23 -1.159 . . . . 0.0 109.471 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.8 t80 -70.44 -30.37 67.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.009 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.574 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -69.58 -41.45 75.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.543 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -71.51 33.66 0.05 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' A' ' 83' ' ' ARG . 50.9 mtpt 51.62 8.16 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.866 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 84' ' ' LEU . 11.3 tp10 -84.94 96.09 9.25 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.12 -0.988 . . . . 0.0 109.092 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -85.77 -36.22 20.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.27 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 19.1 mp0 -64.25 -38.92 92.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 110.14 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.64 -49.1 17.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.294 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.38 69.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.4 mp -54.89 -52.81 61.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 108.777 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -44.85 -35.83 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 109.467 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.93 -48.44 21.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 109.08 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -30.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -0.853 . . . . 0.0 109.788 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.465 ' NH1' ' CD ' ' A' ' 111' ' ' GLU . 3.1 mpt_? -60.72 -48.08 83.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.496 -1.378 . . . . 0.0 108.577 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.88 -28.92 73.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.499 ' O ' ' OG1' ' A' ' 100' ' ' THR . 63.8 tp -63.02 -35.72 81.15 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.168 -1.195 . . . . 0.0 109.084 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.74 -28.04 55.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.856 -1.153 . . . . 0.0 109.769 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -27.98 65.73 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 62.0 p -87.16 -51.18 6.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.622 -0.674 . . . . 0.0 109.672 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -132.11 77.85 70.35 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.77 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -63.48 -20.49 69.89 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.396 1.397 . . . . 0.0 110.443 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -85.23 2.93 41.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.043 -1.036 . . . . 0.0 109.714 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -73.58 111.89 9.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.139 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -70.79 -39.67 72.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.802 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -56.23 -49.04 75.26 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.172 -0.955 . . . . 0.0 109.443 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.18 82.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 0.0 109.348 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -58.4 -39.73 80.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.247 -0.908 . . . . 0.0 108.999 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.41 -51.61 69.16 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.349 -0.844 . . . . 0.0 109.199 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.72 -42.99 62.68 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.497 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' NH1' ' A' ' 95' ' ' ARG . 34.9 tt0 -61.35 -37.23 82.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -60.72 -47.26 87.09 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.314 -0.866 . . . . 0.0 109.726 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -57.64 -43.83 85.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 52.1 mt -70.99 -52.0 31.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.368 -0.832 . . . . 0.0 109.451 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.88 -45.49 74.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.358 -0.839 . . . . 0.0 109.657 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -55.55 -51.9 65.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.085 -1.009 . . . . 0.0 109.409 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.98 78.1 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 69.2 mtp -50.31 -47.52 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.686 . . . . 0.0 110.764 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 120.588 -1.32 . . . . 0.0 109.721 -179.639 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.426 0.631 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -69.04 138.55 54.53 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.261 -0.9 . . . . 0.0 108.689 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.76 -24.1 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.294 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -70.58 -47.16 61.61 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.088 -1.007 . . . . 0.0 109.092 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.97 -37.63 86.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.279 -0.888 . . . . 0.0 110.333 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -50.08 57.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.53 -27.51 61.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 109.385 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -51.85 -54.11 32.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 108.99 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.45 -25.66 64.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.137 -0.977 . . . . 0.0 108.753 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 18' ' ' GLU . 1.2 tm-20 -71.14 -35.43 71.69 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -55.28 -45.19 76.17 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.05 78.49 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.415 -0.803 . . . . 0.0 109.03 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -53.09 -35.35 59.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.389 -0.819 . . . . 0.0 109.561 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' CA ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -72.5 -50.73 23.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.611 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -56.22 -49.12 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 110.214 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 29' ' ' SER . 33.3 mt-10 -61.0 -50.19 74.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.871 -1.143 . . . . 0.0 108.405 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 28' ' ' GLY . 52.4 tttp -58.56 -44.06 89.56 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.16 66.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 -13.11 62.12 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 93.54 13.81 54.63 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p -149.38 134.77 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -1.044 . . . . 0.0 109.007 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -117.49 122.72 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.552 -0.718 . . . . 0.0 109.433 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' A' ' 34' ' ' THR . 6.9 t -65.75 157.47 30.16 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.408 -0.807 . . . . 0.0 110.538 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 6.4 ttpm? -72.11 -25.06 61.59 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 t -74.49 -32.66 62.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.647 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 31' ' ' SER . 1.5 p -64.06 -50.7 67.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 108.805 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.32 -49.2 78.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 108.713 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.28 -53.9 52.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.519 -0.738 . . . . 0.0 111.35 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -75.17 -16.44 60.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.966 -1.084 . . . . 0.0 110.656 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -77.43 -35.13 54.32 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.794 -1.191 . . . . 0.0 109.214 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.2 67.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.123 -0.986 . . . . 0.0 109.261 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.39 -47.32 76.05 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 m -55.47 -40.58 71.8 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.802 -0.562 . . . . 0.0 109.848 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.9 mt -77.59 -40.63 41.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.149 -0.969 . . . . 0.0 110.737 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.92 -27.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 O-C-N 120.781 -1.199 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -96.48 19.81 11.59 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.34 -0.85 . . . . 0.0 109.218 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -85.34 147.67 26.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.261 -0.899 . . . . 0.0 109.561 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -74.95 -4.58 38.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.81 135.82 39.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.4 -0.812 . . . . 0.0 109.319 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -70.72 -41.71 71.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.351 -0.843 . . . . 0.0 110.398 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.02 -32.22 61.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.909 -1.119 . . . . 0.0 110.358 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.55 -31.61 62.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.052 . . . . 0.0 109.121 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -77.51 -48.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.018 -1.051 . . . . 0.0 108.379 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.544 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.09 -43.89 64.13 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -70.56 -41.75 72.03 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.22 72.42 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.8 -50.65 47.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.187 -1.184 . . . . 0.0 109.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.19 -47.81 55.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 mt -50.32 -50.07 51.93 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.718 -0.613 . . . . 0.0 109.484 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.78 -46.51 78.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.958 -1.089 . . . . 0.0 109.408 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' OE2' ' OH ' ' A' ' 93' ' ' TYR . 74.1 mm-40 -52.51 -39.42 61.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.952 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.36 -33.54 75.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.978 . . . . 0.0 109.743 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -77.48 -28.06 52.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 mt -50.66 -54.6 34.2 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.903 -1.123 . . . . 0.0 111.516 -177.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.3 Cg_exo -54.94 -16.5 11.99 Favored 'Trans proline' 0 C--N 1.318 -1.078 0 C-N-CA 120.542 0.828 . . . . 0.0 110.457 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.87 -14.68 15.14 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.203 -0.936 . . . . 0.0 110.448 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.06 161.67 41.83 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -97.74 -178.06 3.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.094 -1.239 . . . . 0.0 108.986 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -53.17 -45.17 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.943 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.24 -50.08 75.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.056 . . . . 0.0 109.53 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 17.7 mp0 -65.33 -37.28 86.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.205 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -53.46 -51.44 62.69 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -50.67 -35.31 30.2 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.269 -0.894 . . . . 0.0 108.972 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.61 -47.15 27.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.676 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 m-85 -58.75 -46.15 88.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.085 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 93' ' ' TYR . 62.0 t -57.98 -32.39 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.15 -49.69 66.55 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -73.12 -37.87 66.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 110.504 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.39 -27.54 68.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.932 -1.105 . . . . 0.0 109.797 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.04 50.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.137 -0.977 . . . . 0.0 109.54 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.43 -41.52 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.544 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.28 -43.72 92.29 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -69.19 -36.42 77.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -1.233 . . . . 0.0 109.824 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -59.21 -30.46 68.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.103 -0.998 . . . . 0.0 109.223 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 85' ' ' LYS . 53.0 mtp180 -73.6 -41.93 62.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 109.826 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 86' ' ' GLU . 42.9 mt -73.11 29.24 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.077 -1.015 . . . . 0.0 109.871 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 83' ' ' ARG . 7.2 mtmp? 57.64 5.5 0.33 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.866 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.94 88.67 4.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.126 -0.984 . . . . 0.0 109.091 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -84.4 -38.84 19.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.394 -0.816 . . . . 0.0 109.389 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 18.7 mp0 -61.25 -47.99 83.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.0 109.93 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.1 -46.11 30.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.125 -0.985 . . . . 0.0 110.151 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.68 68.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 110.077 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' LYS . 3.7 mp -57.52 -56.62 19.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 108.75 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' LEU . 62.0 mttp -41.46 -36.74 0.92 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.496 -177.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 54.4 m-85 -74.4 -50.02 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.705 -1.247 . . . . 0.0 108.885 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -42.09 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.864 -1.147 . . . . 0.0 108.548 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -53.71 -26.41 22.86 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.628 -1.295 . . . . 0.0 107.59 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' O ' ' OG1' ' A' ' 100' ' ' THR . . . -72.51 -32.1 62.38 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' C ' ' HG1' ' A' ' 100' ' ' THR . 3.5 mm? -60.49 -39.54 88.05 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.869 -1.371 . . . . 0.0 108.909 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.584 ' CD2' HD22 ' A' ' 104' ' ' ASN . 9.4 mt -76.56 -50.46 13.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 110.52 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -55.54 -14.54 2.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.681 -1.262 . . . . 0.0 107.787 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.471 ' HG1' ' C ' ' A' ' 97' ' ' LEU . 7.3 p -101.87 -46.85 4.78 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' A' ' 103' ' ' GLN . 44.9 mt-10 -136.4 79.6 41.76 Favored Pre-proline 0 N--CA 1.497 1.917 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.76 43.44 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.542 1.494 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.535 ' H ' ' C ' ' A' ' 101' ' ' GLU . 67.7 mt-30 -151.51 -4.34 0.28 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.215 -0.928 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.676 ' H ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -79.03 106.61 11.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.868 -1.145 . . . . 0.0 109.361 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 10.2 p-10 -63.4 -36.71 84.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 0.0 110.05 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -56.84 -38.23 72.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.108 -0.995 . . . . 0.0 109.738 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.12 -35.62 48.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.093 -1.004 . . . . 0.0 109.353 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.26 -50.3 28.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 0.0 109.629 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.62 -32.94 69.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.81 -40.61 92.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.893 . . . . 0.0 108.939 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.55 -32.54 73.52 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.237 -0.914 . . . . 0.0 109.178 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -61.67 -41.34 97.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.295 -0.878 . . . . 0.0 109.238 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.19 -43.75 98.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.127 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.72 -43.54 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.445 -0.784 . . . . 0.0 109.779 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.3 -50.4 67.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.305 -0.872 . . . . 0.0 109.846 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -56.63 -53.08 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.015 -1.053 . . . . 0.0 109.863 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.96 -49.28 78.45 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.84 -49.7 28.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.658 -0.651 . . . . 0.0 110.36 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.8 mttm . . . . . 0 N--CA 1.49 1.557 0 O-C-N 120.621 -1.299 . . . . 0.0 109.5 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.361 0.6 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -84.95 134.09 34.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.035 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.49 -23.45 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.8 mm-40 -69.5 -45.1 69.71 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.37 -0.831 . . . . 0.0 109.096 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.72 -49.68 61.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.59 -48.07 83.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.921 -1.112 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.26 -36.33 61.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.776 -1.202 . . . . 0.0 109.885 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.0 tmmm? -52.19 -38.02 56.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.774 -1.204 . . . . 0.0 108.37 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -74.41 -29.76 61.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.289 -0.882 . . . . 0.0 108.792 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -65.61 -41.37 92.83 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -54.4 -46.54 73.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.28 -48.58 67.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.148 -0.97 . . . . 0.0 108.438 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -53.49 -45.21 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.361 -0.837 . . . . 0.0 108.768 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -71.56 -51.28 24.3 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.67 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -55.21 -39.56 69.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.587 -1.32 . . . . 0.0 108.176 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.37 -48.56 79.22 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -43.51 78.18 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.79 71.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.7 20.54 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.57 12.42 53.7 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -157.54 158.45 35.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.324 -1.104 . . . . 0.0 109.914 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.49 126.42 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.585 -0.697 . . . . 0.0 109.238 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 151.71 25.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 109.571 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -58.56 -25.3 62.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.645 -0.659 . . . . 0.0 109.587 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.0 m -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.214 -0.929 . . . . 0.0 110.85 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -70.32 -48.5 56.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.89 -1.131 . . . . 0.0 110.248 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -53.51 -50.27 65.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.988 -1.07 . . . . 0.0 109.701 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.665 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.48 -49.14 77.96 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 53.9 mt-10 -71.62 -28.79 64.03 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 0.0 110.963 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -85.49 -21.94 28.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -0.913 . . . . 0.0 110.267 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.92 -50.24 21.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.948 -1.095 . . . . 0.0 109.91 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 22.0 p-90 -60.98 -33.63 73.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.504 -1.373 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' CZ2' ' A' ' 40' ' ' TRP . 88.2 m -55.83 -40.27 72.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.065 . . . . 0.0 108.895 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 16.0 mt -77.13 -53.88 7.21 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.272 -0.893 . . . . 0.0 109.554 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 t -50.92 -19.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 108.945 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -109.12 24.18 13.47 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 58.9 p -94.16 160.13 14.84 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.278 -0.889 . . . . 0.0 109.724 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -78.6 -8.23 58.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.87 . . . . 0.0 109.696 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -95.6 132.01 41.2 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.476 ' H ' HD21 ' A' ' 48' ' ' ASN . 2.1 m-80 -70.61 -47.31 60.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.303 -0.873 . . . . 0.0 109.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -49.85 -26.95 4.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 110.01 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -27.73 60.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 109.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.4 mt -76.29 -53.05 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.042 -1.037 . . . . 0.0 110.071 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -54.58 -31.54 56.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.692 -1.255 . . . . 0.0 107.812 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -81.67 -39.41 24.38 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.15 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 121.137 -1.214 . . . . 0.0 108.245 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.07 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.9 mt -50.55 -44.84 56.68 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.609 -0.682 . . . . 0.0 109.193 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.84 -44.85 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.025 . . . . 0.0 109.092 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.53 -33.55 60.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 109.84 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.59 -32.77 70.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.876 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.25 -29.41 57.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.14 -0.975 . . . . 0.0 111.355 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -54.08 -54.63 45.23 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.861 -1.149 . . . . 0.0 111.381 -178.151 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.0 Cg_exo -54.06 -22.81 26.27 Favored 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 120.597 0.864 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -126.85 51.12 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.306 -0.871 . . . . 0.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.59 151.88 19.07 Favored Glycine 0 N--CA 1.502 3.094 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' A' ' 69' ' ' GLU . 6.8 m -64.38 -172.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.973 -1.31 . . . . 0.0 108.958 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -74.75 -46.02 40.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.95 -1.093 . . . . 0.0 108.914 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.17 -45.56 92.84 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' A' ' 66' ' ' SER . 48.8 mt-10 -56.45 -34.73 67.13 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.41 ' C ' ' HE ' ' A' ' 71' ' ' ARG . 1.1 tt0 -54.67 -38.83 67.41 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -71.56 -29.37 64.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.43 -52.15 17.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.039 -1.038 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.665 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 61.2 m-85 -53.12 -37.91 62.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.947 -1.096 . . . . 0.0 108.826 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.15 -33.9 58.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.74 -50.3 58.03 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.594 -0.691 . . . . 0.0 110.044 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.35 -38.42 74.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.779 -1.201 . . . . 0.0 110.003 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 59.5 mt -59.98 -38.79 83.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.022 -1.049 . . . . 0.0 109.602 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.83 72.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.038 -1.039 . . . . 0.0 109.031 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.83 -46.78 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.6 -38.92 96.64 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-80 -71.45 -27.91 63.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -1.173 . . . . 0.0 109.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.7 t80 -68.1 -29.56 68.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.554 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -74.19 -47.92 32.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 109.845 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 86' ' ' GLU . 37.2 mt -70.35 31.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.098 -1.001 . . . . 0.0 110.203 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.5 mttp 54.86 3.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 110.269 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 84' ' ' LEU . 80.1 mt-10 -78.09 88.08 4.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.24 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.22 -38.03 21.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 109.805 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.51 -50.62 72.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.135 -0.978 . . . . 0.0 109.883 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.268 -0.895 . . . . 0.0 109.85 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.93 86.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 mp -76.07 -19.31 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 0.0 109.392 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -73.16 -35.98 66.54 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.58 -41.37 60.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.826 -0.546 . . . . 0.0 109.778 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.78 -30.62 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.166 -0.959 . . . . 0.0 110.77 -178.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -64.45 -48.57 74.79 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.947 -1.721 . . . . 0.0 108.275 179.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.29 -27.66 72.68 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 36.3 tp -62.57 -37.43 86.14 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.212 -1.169 . . . . 0.0 109.045 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.53 -35.93 58.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.922 -1.111 . . . . 0.0 109.387 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -54.38 -24.01 17.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 40.2 p -96.45 -48.15 5.68 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.75 77.6 75.28 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.785 -0.572 . . . . 0.0 109.996 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.523 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 2.1 Cg_endo -65.99 -15.28 48.12 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.492 1.462 . . . . 0.0 109.631 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -88.54 -3.35 58.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.374 -0.829 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -73.11 103.88 4.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 0.0 109.414 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.696 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -70.04 -39.46 75.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.524 -179.186 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -55.59 -28.84 57.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.09 . . . . 0.0 109.368 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.16 38.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.342 -0.849 . . . . 0.0 109.203 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 55.6 mttp -57.9 -40.63 80.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.89 . . . . 0.0 109.386 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.79 -51.24 70.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.7 tp -51.68 -41.61 61.55 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.388 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.64 -33.62 76.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.05 -1.031 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.6 -48.11 42.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 110.19 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.2 mt -56.74 -46.53 81.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 0.0 109.154 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 43.9 mt -68.6 -50.3 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 109.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 119' ' ' LYS . 6.6 t70 -54.64 -43.94 72.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.776 . . . . 0.0 110.174 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.63 -53.41 57.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.982 -1.074 . . . . 0.0 109.915 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.7 80.63 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.99 -43.69 29.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.711 -0.618 . . . . 0.0 111.314 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 23.6 mmtm . . . . . 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 109.969 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 121.35 0.595 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 m -48.48 119.29 2.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.367 -0.833 . . . . 0.0 109.56 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.82 -24.84 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.3 mm-40 -67.4 -47.5 70.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.491 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 11.3 t70 -67.62 -45.22 76.05 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 108.982 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -50.16 75.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.409 -0.807 . . . . 0.0 109.657 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.0 -39.63 55.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.78 -1.2 . . . . 0.0 109.984 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.1 tmmm? -52.61 -48.81 66.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.763 -1.211 . . . . 0.0 108.798 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.05 -30.19 69.34 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.7 -41.83 78.57 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -56.39 -40.66 74.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -61.67 -49.34 76.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.3 -0.875 . . . . 0.0 109.03 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.16 -35.95 62.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.212 -0.93 . . . . 0.0 109.106 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -72.79 -52.36 15.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.417 -0.802 . . . . 0.0 109.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t -65.81 -45.95 80.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.827 -1.171 . . . . 0.0 110.002 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -59.8 -42.12 92.71 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.073 -1.017 . . . . 0.0 108.667 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -69.78 -38.99 76.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.81 71.37 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -16.26 22.27 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.07 16.46 50.76 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' GLU . 57.8 m -154.12 123.38 6.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.55 -0.971 . . . . 0.0 109.062 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.47 125.62 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.449 -0.782 . . . . 0.0 109.9 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.4 p -74.17 134.36 42.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.456 -0.778 . . . . 0.0 109.396 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.63 -19.08 14.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.359 -0.838 . . . . 0.0 109.286 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.2 t -75.25 -38.66 60.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.375 -0.828 . . . . 0.0 110.439 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -64.58 -48.84 73.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.959 -1.088 . . . . 0.0 110.16 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.14 -40.9 86.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.932 -1.105 . . . . 0.0 109.45 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.699 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -64.95 -50.21 67.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.406 -0.809 . . . . 0.0 110.52 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -68.93 -23.86 64.21 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.99 0.9 . . . . 0.0 110.51 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -81.16 -29.62 34.64 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.533 -0.729 . . . . 0.0 110.699 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.47 -51.72 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.78 -1.2 . . . . 0.0 110.612 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -57.7 -32.91 67.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 117.555 -1.658 . . . . 0.0 108.219 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -56.15 -42.23 76.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.842 -1.161 . . . . 0.0 109.243 178.536 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' SER . 15.4 mt -78.06 -49.02 14.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.13 -0.981 . . . . 0.0 110.416 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.2 t -49.67 -19.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.24 -0.912 . . . . 0.0 109.465 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -94.67 12.84 26.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LEU . 52.7 p -96.04 159.43 14.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 36.4 mtmt -97.65 53.07 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.173 -0.954 . . . . 0.0 109.766 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 59.2 m-85 -149.98 119.49 6.93 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 108.845 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -50.14 -48.98 53.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 111.138 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -51.99 -45.12 64.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.734 -1.229 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.777 -1.202 . . . . 0.0 109.785 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.24 -41.29 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.868 -1.145 . . . . 0.0 109.035 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -51.99 -31.28 28.74 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -73.09 -40.39 65.03 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.72 -39.27 66.63 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.67 -54.75 30.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.012 -1.287 . . . . 0.0 109.181 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.69 -51.99 66.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 CA-C-O 121.353 0.597 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.85 -47.74 60.21 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.36 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.45 -45.4 38.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 110.077 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.15 -51.66 69.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.794 -1.191 . . . . 0.0 109.481 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.18 -32.22 46.76 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.002 -1.061 . . . . 0.0 109.399 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.9 mt -76.95 -27.79 54.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.531 -0.73 . . . . 0.0 111.343 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -50.27 -54.34 35.14 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.705 -1.247 . . . . 0.0 111.541 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.98 -21.07 32.45 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 N-CA-C 109.92 -0.838 . . . . 0.0 109.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -103.39 5.22 37.02 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.337 -0.852 . . . . 0.0 110.968 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.49 146.94 17.43 Favored Glycine 0 N--CA 1.503 3.145 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -70.88 -163.18 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.015 -1.285 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' CD ' ' N ' ' A' ' 67' ' ' LYS . 12.3 mptt -74.89 -45.73 40.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.83 -1.168 . . . . 0.0 109.141 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.75 -31.18 70.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.07 -1.019 . . . . 0.0 108.463 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.86 -38.48 79.78 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -54.75 -49.65 70.32 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.505 ' NH2' ' OE2' ' A' ' 101' ' ' GLU . 38.0 mtp180 -52.22 -37.3 54.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.312 -0.868 . . . . 0.0 109.129 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -77.62 -51.68 10.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.003 -1.06 . . . . 0.0 109.306 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.699 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 30.9 m-85 -56.14 -43.79 78.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 108.667 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.61 -33.63 55.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.99 -49.81 64.21 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.658 -0.651 . . . . 0.0 110.215 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -70.01 -39.14 76.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.848 -1.157 . . . . 0.0 109.938 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.48 -45.02 95.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.956 -1.09 . . . . 0.0 109.702 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.84 69.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.823 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.67 -41.88 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.528 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.37 -44.37 84.95 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.71 -27.33 68.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -1.218 . . . . 0.0 109.249 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.64 -29.72 66.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 108.936 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.564 ' C ' ' H ' ' A' ' 85' ' ' LYS . 20.7 mmm180 -73.08 -47.69 42.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.364 -0.835 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.6 mt -68.86 27.91 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.564 ' H ' ' C ' ' A' ' 83' ' ' ARG . 68.3 mttt 57.02 1.74 0.1 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.041 . . . . 0.0 109.974 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 84' ' ' LEU . 64.8 mm-40 -76.81 87.0 3.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 109.006 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 6.6 m-85 -79.07 -36.55 40.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.919 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.6 mp0 -62.74 -50.17 72.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.96 . . . . 0.0 110.153 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -66.99 -36.02 81.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.158 -0.964 . . . . 0.0 110.112 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.33 46.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.147 -0.971 . . . . 0.0 109.912 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.63 -20.53 56.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.032 -1.042 . . . . 0.0 109.306 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.41 -36.22 63.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 108.003 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.21 -38.88 55.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.722 -0.611 . . . . 0.0 109.668 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -34.4 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.216 -0.928 . . . . 0.0 110.543 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -65.29 -48.09 74.36 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.316 -1.49 . . . . 0.0 109.414 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.21 -28.16 73.65 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' O ' ' OG1' ' A' ' 100' ' ' THR . 55.6 tp -61.75 -36.56 81.37 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.284 -1.127 . . . . 0.0 108.978 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.41 -33.83 60.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.304 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -52.71 -29.53 27.35 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 28.3 p -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.616 0.722 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.505 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 36.1 mt-10 -130.23 78.23 74.89 Favored Pre-proline 0 N--CA 1.501 2.091 0 O-C-N 121.931 -0.481 . . . . 0.0 110.228 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.59 -17.58 60.03 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.59 1.526 . . . . 0.0 110.472 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.1 10.03 37.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.067 -1.021 . . . . 0.0 110.337 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 27.3 t-20 -81.65 112.83 19.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.89 -1.131 . . . . 0.0 109.479 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.99 -43.27 71.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 110.681 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -56.4 -33.29 65.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.085 . . . . 0.0 109.93 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 104' ' ' ASN . . . -79.44 -38.72 34.02 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.094 -1.004 . . . . 0.0 109.541 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -68.1 -46.35 71.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 110.007 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.15 -37.63 83.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.057 -1.027 . . . . 0.0 109.438 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.31 -41.14 96.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.56 -28.85 68.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.198 -0.938 . . . . 0.0 109.347 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -71.61 -44.59 64.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.703 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.178 -0.951 . . . . 0.0 109.164 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.18 -52.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.509 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -40.2 68.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -55.51 -48.06 75.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.41 -49.15 78.33 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.484 ' SD ' ' CD2' ' A' ' 87' ' ' TYR . 24.9 mmm -48.11 -48.8 33.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.486 -0.759 . . . . 0.0 110.207 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 N--CA 1.49 1.533 0 O-C-N 120.559 -1.338 . . . . 0.0 109.315 179.65 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 m -65.67 135.62 55.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.358 -0.838 . . . . 0.0 109.384 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.74 -29.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.069 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.65 -42.16 95.61 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.068 -1.02 . . . . 0.0 108.763 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.31 -43.66 77.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.434 -0.791 . . . . 0.0 109.931 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -43.62 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.88 -1.138 . . . . 0.0 109.82 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.41 -37.68 56.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.775 -1.203 . . . . 0.0 109.186 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.89 63.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.945 . . . . 0.0 108.676 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -71.5 -27.58 63.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.59 -38.35 74.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 0.0 108.522 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -54.11 -46.43 72.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -56.47 -48.44 77.11 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.101 -0.999 . . . . 0.0 108.768 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.35 -32.24 66.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.19 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.27 -52.91 10.91 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.85 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.19 -50.65 72.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.666 -1.271 . . . . 0.0 109.931 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 29' ' ' SER . 12.0 mm-40 -57.43 -52.1 66.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.135 -0.978 . . . . 0.0 108.797 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -58.38 -38.09 76.6 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.327 -0.858 . . . . 0.0 109.433 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.93 -40.71 70.2 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -15.25 17.75 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.79 47.47 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -151.59 159.42 44.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.99 . . . . 0.0 108.949 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -137.75 125.34 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.366 -0.834 . . . . 0.0 109.351 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -75.19 140.9 43.61 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.395 -0.816 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.06 -35.44 64.53 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.417 -0.802 . . . . 0.0 108.974 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.6 m -53.47 -35.98 61.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.934 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -49.03 16.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.102 -0.998 . . . . 0.0 109.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.98 -38.29 78.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.25 -53.01 27.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 110.296 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.83 -16.82 60.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.017 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.044 -1.035 . . . . 0.0 109.126 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.091 -1.006 . . . . 0.0 109.03 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.7 -44.98 77.91 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.331 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.7 m -54.46 -43.92 72.1 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.634 -0.666 . . . . 0.0 110.408 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.96 -39.75 49.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.905 -1.122 . . . . 0.0 110.459 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.74 -21.29 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.059 -1.025 . . . . 0.0 109.763 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HG2' ' NH1' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -108.63 28.51 8.32 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 p -86.08 161.56 18.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.655 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -82.91 -6.28 59.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -106.85 140.23 40.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -71.11 -45.0 64.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.351 -0.843 . . . . 0.0 110.309 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.01 -35.82 36.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.88 -32.05 63.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.843 -1.16 . . . . 0.0 108.934 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.83 -47.84 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.976 -1.078 . . . . 0.0 108.709 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.562 HH11 ' CG ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -52.47 -38.38 59.24 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -71.33 -36.58 71.61 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.13 -39.27 97.77 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.8 -33.23 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.892 -1.358 . . . . 0.0 108.111 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.92 -50.06 51.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 mt -48.68 -50.22 34.2 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.75 -45.33 90.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.024 -1.047 . . . . 0.0 109.545 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.76 -43.4 80.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.064 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.83 -34.74 65.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.139 -0.976 . . . . 0.0 110.256 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -77.98 -27.46 49.09 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.207 -0.933 . . . . 0.0 111.687 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -49.64 -53.77 38.02 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.69 -1.257 . . . . 0.0 111.169 -177.493 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.7 Cg_exo -58.6 -21.07 53.26 Favored 'Trans proline' 0 C--N 1.315 -1.196 0 N-CA-C 110.018 -0.801 . . . . 0.0 110.018 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -106.84 -5.93 18.03 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.306 -0.871 . . . . 0.0 111.407 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 149.1 23.57 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.051 -1.264 . . . . 0.0 109.054 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.06 -46.49 28.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.755 -1.216 . . . . 0.0 109.477 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.412 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 6.3 mp0 -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.73 -49.19 78.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.934 -1.104 . . . . 0.0 108.505 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.26 -33.2 40.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.19 -0.944 . . . . 0.0 108.905 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.02 -47.42 20.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.284 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.1 m-85 -54.31 -45.05 72.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.75 -33.52 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.145 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.93 -50.47 68.54 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.717 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -68.8 -35.25 76.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.673 -1.267 . . . . 0.0 110.044 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.44 -44.71 92.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.107 -0.995 . . . . 0.0 109.427 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.82 71.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.086 -1.009 . . . . 0.0 108.891 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.43 -46.2 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.874 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.15 94.76 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.21 -28.49 67.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -1.189 . . . . 0.0 109.505 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 4.0 t80 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.1 OUTLIER -74.68 -42.41 58.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 110.096 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.553 ' C ' ' H ' ' A' ' 86' ' ' GLU . 39.5 mt -67.17 31.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.993 -1.067 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.553 ' H ' ' C ' ' A' ' 83' ' ' ARG . 15.2 ttpp 56.82 -0.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.043 . . . . 0.0 110.173 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 84' ' ' LEU . 50.3 mm-40 -78.23 91.84 4.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.895 -1.128 . . . . 0.0 109.027 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -84.49 -36.71 22.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.51 -51.23 37.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.735 -1.228 . . . . 0.0 110.145 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.93 -47.86 78.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 110.216 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.41 -36.1 61.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.961 -1.087 . . . . 0.0 109.865 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.12 -17.28 59.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.087 -1.008 . . . . 0.0 109.734 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -65.63 -39.83 91.89 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.24 -33.42 56.09 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.832 -0.543 . . . . 0.0 109.569 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -39.55 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.037 -1.039 . . . . 0.0 109.011 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.51 -46.83 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 109.218 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.61 -27.96 73.48 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' OG1' ' A' ' 100' ' ' THR . 40.0 tp -61.76 -36.12 80.11 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.209 -1.171 . . . . 0.0 108.988 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.8 mt -75.82 -35.78 59.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.848 -1.158 . . . . 0.0 109.37 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -52.94 -27.89 20.99 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 20.1 p -92.14 -44.97 8.51 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.627 0.727 . . . . 0.0 109.086 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.98 76.85 76.32 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.914 -0.491 . . . . 0.0 110.141 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.8 -21.26 58.25 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.334 1.356 . . . . 0.0 109.679 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.4 -1.31 55.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.666 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -71.89 99.93 2.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.517 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -67.42 -37.39 82.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.604 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -56.29 -45.89 80.01 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.15 -0.969 . . . . 0.0 109.372 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.54 84.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.472 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.35 -35.28 75.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.14 -51.67 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.19 -37.52 64.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.449 -0.782 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.222 -0.924 . . . . 0.0 108.772 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -72.55 -48.57 39.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.328 -0.857 . . . . 0.0 109.455 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 108.812 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.2 -38.86 81.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.627 -0.67 . . . . 0.0 109.724 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -75.28 -44.54 45.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 109.634 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -56.4 -52.13 65.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.925 . . . . 0.0 109.416 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.24 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 29.9 ttm -48.4 -42.94 33.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.68 -0.638 . . . . 0.0 110.361 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.621 -1.299 . . . . 0.0 109.67 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.8 m -89.43 128.01 35.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 108.81 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.53 -23.06 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 108.895 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 48.7 mt-10 -66.49 -45.98 77.82 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.403 -0.811 . . . . 0.0 109.261 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -67.8 -50.69 55.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.121 -0.987 . . . . 0.0 110.492 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.35 -48.97 70.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.933 -1.104 . . . . 0.0 109.439 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LYS . 58.6 mt -77.73 -42.39 34.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.951 -1.093 . . . . 0.0 110.513 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.0 tmmm? -51.63 -47.48 63.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.619 -1.301 . . . . 0.0 108.642 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 26.8 m-85 -67.32 -29.06 68.53 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -75.16 -34.61 61.61 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . 44.6 tttt -54.4 -45.99 73.04 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -62.59 -46.75 86.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.58 -38.89 60.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.363 -0.835 . . . . 0.0 109.329 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.41 -51.66 19.41 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.291 -0.881 . . . . 0.0 110.346 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -65.06 -35.63 81.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.782 -1.198 . . . . 0.0 109.647 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' SER . 45.0 mm-40 -59.04 -49.86 76.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.812 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -63.34 -33.6 75.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.062 . . . . 0.0 108.914 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.72 82.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.47 -16.77 26.13 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.8 15.46 52.39 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLU . 75.0 m -151.94 157.19 41.44 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.391 -1.064 . . . . 0.0 109.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.41 121.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.433 -0.792 . . . . 0.0 109.603 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.5 p -80.87 142.35 33.7 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.534 -0.729 . . . . 0.0 109.409 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -55.59 -30.47 60.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.345 -0.847 . . . . 0.0 109.135 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -54.24 -48.53 71.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -65.08 -49.93 68.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.085 -1.009 . . . . 0.0 110.202 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -55.47 -46.57 76.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.156 -0.965 . . . . 0.0 109.64 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.82 -49.45 76.24 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.449 -0.782 . . . . 0.0 110.556 -179.424 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.563 ' O ' ' NE1' ' A' ' 40' ' ' TRP . 18.6 mm-40 -68.26 -23.39 64.77 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.988 0.899 . . . . 0.0 110.785 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -84.14 -28.11 27.67 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.563 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.15 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.919 -1.113 . . . . 0.0 110.925 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' NE1' ' O ' ' A' ' 37' ' ' GLU . 9.9 p-90 -57.63 -39.41 76.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.553 -1.342 . . . . 0.0 108.227 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 84.5 m -56.42 -39.28 72.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.857 . . . . 0.0 110.921 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' C ' ' N ' ' A' ' 44' ' ' ARG . 13.7 mt -70.76 -57.67 4.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.762 -1.211 . . . . 0.0 110.268 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.528 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 16.7 m -52.75 -14.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.223 -0.923 . . . . 0.0 108.561 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 42.4 ttt180 -81.17 10.86 4.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 28.9 t -104.26 -146.96 0.38 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.158 -0.964 . . . . 0.0 109.098 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -146.3 10.9 1.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.071 -1.018 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 80.4 m-85 -99.71 120.59 39.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.221 -0.924 . . . . 0.0 108.976 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -49.09 -49.29 42.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 0.0 110.806 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.05 -41.6 62.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.77 -1.206 . . . . 0.0 111.007 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -71.74 -50.1 33.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.875 -1.14 . . . . 0.0 109.521 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' A' ' 50' ' ' ASP . 24.0 mt -60.31 -46.34 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.518 -0.739 . . . . 0.0 109.157 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -52.38 -55.05 24.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.981 . . . . 0.0 108.458 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -54.94 -36.49 65.34 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.63 -40.27 87.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 55' ' ' ILE . 15.4 mm -58.33 -53.67 43.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.05 -1.265 . . . . 0.0 108.712 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -54.16 -49.86 59.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.569 0.7 . . . . 0.0 109.223 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.57 -50.43 42.41 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.499 -0.751 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.81 -41.04 65.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.694 -1.254 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.75 -40.24 94.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.941 -1.099 . . . . 0.0 110.114 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -62.0 -35.41 78.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.84 -28.35 55.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.191 -0.943 . . . . 0.0 111.699 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -52.03 -53.97 45.99 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.833 -1.167 . . . . 0.0 111.555 -177.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -53.45 -19.55 13.61 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 N-CA-C 110.039 -0.793 . . . . 0.0 110.039 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -116.66 7.34 13.53 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.401 -0.812 . . . . 0.0 110.612 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.99 150.32 20.93 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -70.15 -168.93 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.995 -1.297 . . . . 0.0 108.486 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -75.73 -46.92 28.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.592 -1.318 . . . . 0.0 109.076 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -58.68 -49.4 77.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.452 -0.78 . . . . 0.0 109.523 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.84 -29.84 68.55 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.165 -0.959 . . . . 0.0 108.686 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -56.01 -52.28 64.78 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -53.54 -33.1 53.39 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.394 -0.816 . . . . 0.0 108.801 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -77.67 -49.78 13.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.929 . . . . 0.0 109.1 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 34.9 m-85 -52.01 -49.5 63.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.952 . . . . 0.0 108.606 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.01 -32.13 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.43 -50.22 47.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 0.0 110.592 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -66.79 -34.45 77.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.656 -1.278 . . . . 0.0 109.008 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.13 -46.6 88.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.918 . . . . 0.0 109.994 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.3 67.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.072 . . . . 0.0 109.181 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.66 -45.88 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.921 . . . . 0.0 109.54 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.27 98.09 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -72.2 -29.73 64.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -1.234 . . . . 0.0 109.492 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.8 t80 -66.23 -30.21 70.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.947 . . . . 0.0 108.93 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.549 ' C ' ' H ' ' A' ' 85' ' ' LYS . 27.2 ttm180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.0 109.589 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 86' ' ' GLU . 92.3 mt -70.09 26.66 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 110.036 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 83' ' ' ARG . 64.6 mttt 57.98 1.39 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.0 109.852 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -76.51 92.62 3.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.062 -1.023 . . . . 0.0 108.89 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.92 -36.72 21.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 110.209 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.67 -51.25 60.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.839 -1.163 . . . . 0.0 109.985 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -68.71 -46.86 67.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.099 -1.001 . . . . 0.0 110.204 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.37 67.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.949 -1.095 . . . . 0.0 109.82 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.6 mt -72.8 -17.8 61.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.118 -0.988 . . . . 0.0 109.717 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -65.07 -40.08 94.17 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -77.34 -33.88 55.36 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -38.21 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.239 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.01 -46.04 89.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.35 -1.469 . . . . 0.0 108.785 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.15 -28.19 73.44 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.481 ' O ' ' OG1' ' A' ' 100' ' ' THR . 33.9 tp -60.96 -36.27 78.94 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.197 -1.178 . . . . 0.0 109.088 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.98 -35.44 59.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.745 -1.222 . . . . 0.0 109.384 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -54.48 -24.97 22.61 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 34.0 p -94.93 -48.3 6.06 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -129.01 77.58 77.7 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.802 -0.561 . . . . 0.0 110.126 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.36 -22.83 52.15 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 121.269 1.313 . . . . 0.0 109.57 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -80.4 -3.36 49.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 106' ' ' GLN . 59.0 t-20 -72.03 99.23 2.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.375 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.691 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.5 OUTLIER -68.33 -35.74 78.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 0.0 109.532 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.603 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 2.7 mp0 -56.28 -43.06 78.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.186 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.02 84.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.476 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -56.34 -44.27 79.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.282 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.48 -51.07 67.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -51.07 -38.85 54.09 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.96 -32.35 73.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.053 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.18 -46.65 55.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 109.556 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.66 -46.32 81.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 108.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.09 -38.36 81.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.9 -40.47 68.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.482 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -56.6 -52.71 63.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.636 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.74 79.28 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.2 ttm -47.75 -46.93 30.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.729 -0.607 . . . . 0.0 110.354 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.408 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.7 mptm? . . . . . 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.08 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m -70.5 133.53 46.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.259 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.39 -26.86 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.316 -0.865 . . . . 0.0 108.933 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -68.62 -46.3 69.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.168 -0.958 . . . . 0.0 109.005 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.3 -48.07 79.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.291 -0.881 . . . . 0.0 110.262 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 109.711 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.44 -38.62 55.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.751 -1.218 . . . . 0.0 109.182 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -50.86 -52.23 43.68 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 27.0 m-85 -64.03 -27.99 69.49 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.83 -34.57 64.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.29 -0.881 . . . . 0.0 108.674 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -54.25 -47.85 71.79 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' OE2' ' A' ' 24' ' ' GLU . 12.8 mtmt -63.7 -48.18 78.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 108.653 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -52.67 -40.37 62.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.206 -0.933 . . . . 0.0 109.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -70.78 -52.3 21.52 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.387 -0.821 . . . . 0.0 110.002 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -58.76 -42.1 88.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.41 -43.8 79.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 108.763 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -62.12 -36.02 80.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.095 -1.003 . . . . 0.0 108.619 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.1 -45.62 75.46 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.84 26.74 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.16 55.49 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.46 158.48 42.66 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.517 -0.99 . . . . 0.0 109.536 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -139.35 118.2 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.449 -0.782 . . . . 0.0 109.602 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -71.93 142.8 49.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.572 -0.705 . . . . 0.0 109.414 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -57.33 -17.86 14.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -66.54 -49.2 67.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.86 . . . . 0.0 110.092 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 6.6 m -67.87 -36.28 80.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.106 -0.996 . . . . 0.0 109.981 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.082 -1.011 . . . . 0.0 110.845 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 73' ' ' TYR . 6.8 m-85 -64.03 -51.12 65.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.179 -0.951 . . . . 0.0 110.684 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 pp20? -62.2 -15.18 44.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -85.07 -29.07 25.2 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.73 -50.58 14.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.897 -1.127 . . . . 0.0 110.783 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' NE1' ' SG ' ' A' ' 41' ' ' CYS . 2.7 p-90 -57.36 -38.55 74.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.234 -1.541 . . . . 0.0 108.011 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' NE1' ' A' ' 40' ' ' TRP . 91.3 m -60.26 -38.07 82.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.135 -0.978 . . . . 0.0 110.421 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.74 -56.88 4.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.985 -1.072 . . . . 0.0 111.177 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 m -52.34 -16.25 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 109.69 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -92.95 14.47 17.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.378 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.482 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 31.1 t -90.85 -151.5 0.25 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.004 -1.06 . . . . 0.0 109.469 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' NZ ' ' CZ ' ' A' ' 47' ' ' TYR . 21.7 pttp -131.8 1.42 3.99 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.539 -0.726 . . . . 0.0 109.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' NZ ' ' A' ' 46' ' ' LYS . 80.7 m-85 -98.34 121.32 40.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.302 -0.874 . . . . 0.0 108.992 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.74 -49.62 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 110.233 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.99 -33.67 39.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.96 -1.087 . . . . 0.0 110.454 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.95 -29.49 68.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.977 -1.077 . . . . 0.0 109.467 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.36 -45.59 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.111 -0.993 . . . . 0.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.533 ' CG ' HH11 ' A' ' 52' ' ' ARG . 3.5 mtt-85 -54.15 -26.22 26.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -86.43 -45.69 10.92 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 108.874 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.63 95.96 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.139 -1.185 . . . . 0.0 110.139 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.01 -40.1 80.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.035 -1.274 . . . . 0.0 108.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.42 -45.94 87.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.7 mt -49.9 -42.33 47.82 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -39.33 62.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.921 -1.112 . . . . 0.0 109.72 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -59.32 -37.56 78.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.09 -1.006 . . . . 0.0 109.991 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -68.99 -35.57 76.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 110.12 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.5 -28.96 56.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 111.167 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -51.78 -55.37 30.72 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.785 -1.197 . . . . 0.0 111.808 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -52.63 -37.9 75.35 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.798 0.998 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -99.2 55.02 0.98 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 157.14 27.16 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 m -70.67 -177.94 1.69 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.14 -1.212 . . . . 0.0 109.232 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -75.46 -41.93 54.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.946 -1.096 . . . . 0.0 109.504 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.52 ' CD ' HH12 ' A' ' 71' ' ' ARG . 4.4 tm-20 -67.65 -49.76 61.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 108.857 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.2 -31.08 65.11 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.347 -0.846 . . . . 0.0 109.283 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.33 -46.57 82.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.157 -0.964 . . . . 0.0 108.949 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.52 HH12 ' CD ' ' A' ' 68' ' ' GLU . 2.2 mtm-85 -52.33 -30.3 27.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.048 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.48 -51.64 22.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 109.3 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 36' ' ' PHE . 3.0 m-85 -59.49 -29.41 67.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 0.0 109.215 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.77 -41.96 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 108.651 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.3 -49.8 76.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.672 -0.642 . . . . 0.0 110.613 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -62.83 -39.71 95.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.765 -1.21 . . . . 0.0 110.49 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.29 -44.77 95.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.001 -1.062 . . . . 0.0 109.584 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.43 62.27 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.056 -1.027 . . . . 0.0 108.865 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.64 -42.07 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.65 98.53 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -68.34 -29.44 68.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.247 . . . . 0.0 109.438 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.19 -29.65 69.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -72.66 -47.71 45.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.601 ' C ' ' H ' ' A' ' 86' ' ' GLU . 47.7 mt -71.8 31.6 0.05 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.979 -1.076 . . . . 0.0 110.064 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' A' ' 83' ' ' ARG . 58.8 mttt 61.77 -16.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.307 -0.87 . . . . 0.0 110.633 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -57.74 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.741 -1.225 . . . . 0.0 108.498 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' LYS . 49.5 m-85 -82.46 -37.56 25.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 110.205 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.63 -51.51 34.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.865 -1.147 . . . . 0.0 110.467 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.79 -37.68 82.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.093 -1.004 . . . . 0.0 110.231 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.67 94.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.843 -1.161 . . . . 0.0 109.873 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ARG . 65.2 mt -70.01 -18.62 63.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.09 -40.02 90.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -31.91 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 109.776 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LEU . 17.8 mmm-85 -68.75 -48.61 63.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.613 -1.304 . . . . 0.0 109.731 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.72 -29.63 75.02 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.206 -1.557 . . . . 0.0 109.206 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.492 ' O ' ' OG1' ' A' ' 100' ' ' THR . 25.7 tp -59.6 -39.69 85.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.504 -0.998 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.85 -28.09 58.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.829 -1.17 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.59 -28.58 63.75 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 72.4 p -86.87 -50.88 6.41 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.713 -0.617 . . . . 0.0 109.587 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -130.8 77.35 75.66 Favored Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.701 -0.625 . . . . 0.0 110.212 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.48 -8.61 21.35 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.405 1.403 . . . . 0.0 109.793 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -89.09 -6.84 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.89 105.13 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.167 -0.958 . . . . 0.0 109.563 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.7 -36.51 78.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -0.891 . . . . 0.0 109.661 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -56.88 -49.22 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.457 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.92 75.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 109.337 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.58 -40.19 95.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 0.0 109.171 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.62 -51.84 67.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.363 -0.836 . . . . 0.0 109.422 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.67 -37.84 59.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.53 -0.731 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.04 -38.89 92.33 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.039 -1.038 . . . . 0.0 109.102 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -54.81 -51.67 65.07 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.334 -0.853 . . . . 0.0 109.618 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.2 -44.01 87.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.0 -34.57 64.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.51 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.02 -49.49 19.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -55.81 -51.46 67.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.83 78.21 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.6 ttm -49.0 -48.38 43.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.529 -0.732 . . . . 0.0 110.345 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.542 -1.349 . . . . 0.0 109.502 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.22 0.533 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 m -64.54 135.26 55.82 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.939 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.68 -25.81 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.193 -0.942 . . . . 0.0 109.17 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 16' ' ' LYS . 42.7 mt-10 -68.6 -45.97 70.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.12 -0.988 . . . . 0.0 109.49 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.73 -43.04 99.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.222 -0.924 . . . . 0.0 110.742 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -44.31 66.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.87 -1.144 . . . . 0.0 109.913 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -78.38 -30.35 47.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.717 -1.24 . . . . 0.0 110.156 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' GLU . 34.5 ttpt -55.13 -55.16 34.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.884 -1.135 . . . . 0.0 109.236 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.9 -24.53 63.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 108.808 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -72.22 -33.83 67.88 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -47.25 76.62 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -61.04 -47.84 84.52 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.095 -1.003 . . . . 0.0 109.069 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.76 -32.49 52.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.253 -0.904 . . . . 0.0 109.564 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -72.67 -52.09 16.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.28 -0.888 . . . . 0.0 109.625 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 24' ' ' GLU . 12.0 p -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.808 -1.182 . . . . 0.0 109.791 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.61 ' N ' ' HG ' ' A' ' 23' ' ' SER . 42.2 mt-10 -58.82 -43.55 90.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 0.0 109.124 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -69.7 -40.01 76.56 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.187 -0.946 . . . . 0.0 108.906 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.82 68.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -14.41 26.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.72 16.93 53.87 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.0 m -156.07 123.71 5.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.426 -1.044 . . . . 0.0 109.489 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -107.26 122.39 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.747 . . . . 0.0 109.543 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.5 p -70.57 137.75 50.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -58.82 -18.61 33.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.371 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -64.63 -48.62 74.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.627 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' TYR . 21.7 m -71.64 -39.62 70.24 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.135 -0.978 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.94 -39.04 65.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 109.369 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.2 m-85 -74.08 -50.1 21.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.234 -0.916 . . . . 0.0 109.888 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.17 -16.72 62.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 109.009 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.523 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 10.6 t80 -78.86 -31.66 45.68 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.88 63.71 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.213 -0.929 . . . . 0.0 108.86 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.477 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.19 -54.13 40.4 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' TYR . 11.3 p -53.73 -39.09 64.99 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.725 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.483 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 16.2 mt -78.17 -36.81 47.07 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 110.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.7 -22.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 45' ' ' SER . 44.2 mtp180 -94.41 -105.63 0.14 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.601 ' C ' ' H ' ' A' ' 47' ' ' TYR . 8.7 t 57.94 124.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.532 -0.73 . . . . 0.0 110.285 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -64.08 3.97 0.37 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.601 ' H ' ' C ' ' A' ' 45' ' ' SER . 77.9 m-85 -110.57 138.09 47.42 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.549 -0.72 . . . . 0.0 109.457 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -71.91 -48.29 46.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.925 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -52.45 -33.75 45.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.864 -1.148 . . . . 0.0 110.557 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.25 -29.17 69.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 109.082 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.9 mt -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.117 -0.989 . . . . 0.0 108.788 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -50.69 -52.95 35.31 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -51.72 -44.31 63.18 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.78 -42.92 59.95 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 HG23 HD11 ' A' ' 55' ' ' ILE . 10.8 mm -59.81 -54.45 34.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 120.903 -1.351 . . . . 0.0 108.83 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.53 -51.89 64.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.542 0.687 . . . . 0.0 109.199 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 mt -48.67 -48.11 40.21 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.544 -0.722 . . . . 0.0 109.672 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.21 -45.04 35.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.858 -1.151 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -55.97 -31.66 63.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.814 -1.179 . . . . 0.0 110.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -73.51 -37.33 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -0.996 . . . . 0.0 110.006 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.25 -29.46 57.5 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.084 -1.01 . . . . 0.0 111.16 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.8 mp -50.5 -55.75 23.78 Favored Pre-proline 0 N--CA 1.486 1.342 0 O-C-N 120.629 -1.294 . . . . 0.0 110.856 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.3 Cg_exo -53.51 -25.55 32.87 Favored 'Trans proline' 0 C--N 1.321 -0.881 0 N-CA-C 109.964 -0.821 . . . . 0.0 109.964 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -99.11 33.05 2.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.274 -0.891 . . . . 0.0 109.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 156.85 23.28 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -79.85 -168.13 1.5 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -1.133 . . . . 0.0 109.294 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -73.84 -39.02 64.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.076 -1.015 . . . . 0.0 109.737 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -72.77 -41.57 64.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 108.793 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.88 -35.42 76.57 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.637 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.46 -40.63 85.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.1 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 12.2 ttp180 -51.87 -34.77 42.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.927 . . . . 0.0 108.712 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -76.85 -51.33 11.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.003 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.517 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.7 m-85 -62.76 -40.16 96.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 0.0 109.851 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.08 -36.79 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.015 -1.053 . . . . 0.0 108.628 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -59.42 -45.0 92.77 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.647 -0.658 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -70.0 -37.27 75.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.956 -1.09 . . . . 0.0 110.289 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.05 -44.94 94.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.049 . . . . 0.0 109.145 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.74 -34.95 71.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.152 -0.968 . . . . 0.0 108.995 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.54 -38.69 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.43 -44.79 63.09 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -66.05 -28.97 69.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 0.0 109.066 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -68.64 -30.35 69.03 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.873 . . . . 0.0 109.121 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.534 ' C ' ' H ' ' A' ' 85' ' ' LYS . 8.7 tpm_? -68.68 -43.21 76.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.63 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' A' ' 86' ' ' GLU . 54.9 mt -71.79 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.243 -0.911 . . . . 0.0 110.025 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.9 mttm 59.46 -1.97 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.899 . . . . 0.0 110.312 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -72.84 93.82 1.74 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.896 -1.127 . . . . 0.0 108.913 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -84.97 -36.9 21.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.508 -0.745 . . . . 0.0 109.961 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 20.6 mp0 -67.15 -39.76 86.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 110.588 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -76.68 -46.24 26.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.11 67.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.8 -52.09 63.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 108.59 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -44.18 -34.31 1.81 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.67 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -76.33 -48.93 18.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.999 -1.063 . . . . 0.0 108.784 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -28.36 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.458 -0.776 . . . . 0.0 110.071 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.02 -47.47 71.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.691 -1.256 . . . . 0.0 109.603 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.63 -28.6 72.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' A' ' 100' ' ' THR . 30.0 tp -59.68 -37.21 78.17 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.498 -1.001 . . . . 0.0 108.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.77 -33.3 58.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.782 -1.199 . . . . 0.0 109.557 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -53.43 -26.16 18.83 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 80.2 p -86.52 -50.96 6.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 56.7 mt-10 -132.47 79.34 65.47 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.721 -0.612 . . . . 0.0 109.831 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.4 -16.61 48.39 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.16 1.24 . . . . 0.0 109.682 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -81.86 1.6 34.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -79.82 103.01 9.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.072 -1.018 . . . . 0.0 109.698 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.23 -35.29 68.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.886 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.21 -35.79 67.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.15 -0.969 . . . . 0.0 109.314 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.77 -28.07 58.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.121 -0.987 . . . . 0.0 109.105 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -71.48 -50.14 34.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 109.837 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -32.33 67.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.014 -1.054 . . . . 0.0 109.312 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.14 -43.29 99.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 108.894 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -54.27 -38.51 65.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -62.01 -50.99 69.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 110.404 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.56 -49.17 73.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.011 -1.056 . . . . 0.0 109.228 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.9 mt -67.33 -40.9 85.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.415 -0.803 . . . . 0.0 109.255 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.08 -46.2 68.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.853 . . . . 0.0 109.517 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -56.35 -51.8 66.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.22 -0.925 . . . . 0.0 109.472 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.01 77.8 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.12 -1.032 . . . . 0.0 108.233 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.8 ttm -46.48 -40.39 12.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.466 -0.771 . . . . 0.0 110.312 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.672 -1.267 . . . . 0.0 110.336 -179.627 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.261 0.553 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -76.19 130.26 37.97 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.51 -24.62 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.179 -0.951 . . . . 0.0 108.892 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.53 ' OE2' ' N ' ' A' ' 12' ' ' GLU . 1.7 mp0 -66.78 -45.84 77.2 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.285 -0.885 . . . . 0.0 109.008 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.93 -35.86 80.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.284 -0.885 . . . . 0.0 110.117 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -49.46 57.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LYS . 60.9 mt -78.33 -31.81 48.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 110.518 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.8 ttpt -54.12 -53.23 56.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.017 -1.052 . . . . 0.0 110.065 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -74.87 -26.95 60.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.986 -1.071 . . . . 0.0 109.638 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.71 -32.42 62.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.8 -48.02 76.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -61.22 -47.81 84.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.242 -0.911 . . . . 0.0 109.033 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -52.95 -35.05 58.27 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.193 -0.942 . . . . 0.0 109.447 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.35 -52.47 13.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.267 -0.895 . . . . 0.0 109.766 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -61.17 -49.39 77.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.853 -1.155 . . . . 0.0 109.591 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 59.4 mt-10 -58.21 -51.2 70.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.209 -0.932 . . . . 0.0 109.088 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 72.8 tttt -59.0 -40.32 84.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.069 -1.019 . . . . 0.0 108.994 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.68 66.99 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.62 47.97 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 98.87 9.89 51.05 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.0 t -152.56 158.32 42.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.6 t -140.57 128.36 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.281 -0.887 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.1 p -70.52 139.48 51.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.435 -0.791 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -57.74 -18.2 19.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.407 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -66.55 -48.43 69.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -64.59 -41.78 96.02 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.192 -0.942 . . . . 0.0 109.722 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -56.95 -42.17 79.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.092 -1.005 . . . . 0.0 109.233 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.2 m-85 -71.66 -50.06 34.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.239 -0.913 . . . . 0.0 109.796 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 38.7 mt-10 -71.82 -15.39 62.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.079 -1.013 . . . . 0.0 109.927 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -77.75 -35.34 51.88 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.839 -1.163 . . . . 0.0 108.794 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.45 -37.92 65.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.387 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.619 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.44 -53.15 59.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.975 -1.078 . . . . 0.0 108.441 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 4.1 m -53.83 -39.45 65.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 ' O ' ' OG ' ' A' ' 45' ' ' SER . 16.7 mt -77.75 -45.28 25.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 110.127 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.6 t -54.17 -24.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.074 -1.016 . . . . 0.0 109.905 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.619 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 30.2 ttm180 -97.23 22.44 8.63 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.535 -0.728 . . . . 0.0 109.319 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 67.2 p -94.33 151.54 19.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.958 -1.088 . . . . 0.0 109.352 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -78.81 -4.31 48.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -92.93 138.17 31.72 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -0.912 . . . . 0.0 109.054 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.623 ' H ' HD21 ' A' ' 48' ' ' ASN . 0.8 OUTLIER -71.05 -48.98 49.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.782 -178.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -52.3 -36.67 53.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.889 -1.132 . . . . 0.0 110.724 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.19 -32.1 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.972 -1.08 . . . . 0.0 109.366 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -78.48 -39.61 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.927 -1.108 . . . . 0.0 108.781 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -52.13 -54.24 32.98 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.36 -40.34 74.37 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.74 -40.59 64.26 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.63 -56.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 O-C-N 120.762 -1.434 . . . . 0.0 108.962 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 25.3 t -51.63 -51.4 26.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.5 mt -47.96 -49.85 29.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -44.17 43.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.896 -1.128 . . . . 0.0 109.996 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -51.99 -39.95 60.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.996 -1.065 . . . . 0.0 110.224 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 56' ' ' VAL . 1.4 mp0 -72.95 -31.55 64.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.91 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.0 mt -75.35 -30.54 60.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.95 -1.094 . . . . 0.0 111.041 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.413 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -52.38 -55.7 29.32 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 120.73 -1.231 . . . . 0.0 111.25 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.2 Cg_endo -55.43 -28.32 63.15 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 CA-C-N 119.466 0.845 . . . . 0.0 110.262 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -96.42 35.15 1.51 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.167 -0.958 . . . . 0.0 109.845 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.38 -135.37 3.74 Favored Glycine 0 N--CA 1.5 2.931 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 p -147.36 -169.51 3.33 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.329 -1.1 . . . . 0.0 108.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -75.46 -44.43 44.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -73.88 -47.34 38.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.75 -30.92 64.06 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 108.724 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -52.8 -31.72 40.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.65 -52.82 8.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 109.663 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.2 m-85 -60.24 -38.29 82.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.068 -1.02 . . . . 0.0 108.957 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.83 -37.35 59.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.67 -49.0 79.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.726 -0.609 . . . . 0.0 110.564 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -68.28 -37.03 80.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.722 -1.236 . . . . 0.0 110.158 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.4 -45.07 92.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.99 -1.069 . . . . 0.0 109.436 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.32 72.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.144 -0.973 . . . . 0.0 109.343 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.45 -41.3 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 109.773 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.59 -43.58 91.83 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -67.43 -26.54 66.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 0.0 109.56 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -68.94 -32.76 72.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.357 -0.839 . . . . 0.0 109.392 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 85' ' ' LYS . 34.8 mtt180 -75.3 -45.96 36.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.064 -1.022 . . . . 0.0 109.51 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 86' ' ' GLU . 36.9 mt -65.94 28.59 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 110.522 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.582 ' H ' ' C ' ' A' ' 83' ' ' ARG . 44.3 mttm 55.07 4.41 0.08 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.894 -1.129 . . . . 0.0 109.767 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 84' ' ' LEU . 92.5 mt-10 -82.01 83.72 7.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -0.961 . . . . 0.0 108.989 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -78.95 -37.2 40.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.332 -0.855 . . . . 0.0 109.742 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.65 -50.87 72.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.948 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.15 -42.84 75.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 109.563 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.37 86.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' O ' ' NE ' ' A' ' 95' ' ' ARG . 4.1 mp -70.55 -19.41 62.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.007 . . . . 0.0 109.078 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.65 -37.46 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.981 -1.074 . . . . 0.0 108.441 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -75.89 -37.74 58.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.656 -0.653 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -32.6 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.146 -0.972 . . . . 0.0 110.959 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 91' ' ' LEU . 52.5 mtm180 -71.64 -48.77 45.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.618 -1.301 . . . . 0.0 110.16 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.27 73.59 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' A' ' 100' ' ' THR . 9.5 tp -58.0 -45.74 86.35 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.609 -0.936 . . . . 0.0 108.53 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.34 -35.33 77.62 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.919 -1.113 . . . . 0.0 109.996 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -49.56 -32.95 13.65 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.639 ' HG1' ' H ' ' A' ' 101' ' ' GLU . 75.6 p -76.47 -48.35 19.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.468 -0.77 . . . . 0.0 109.001 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.639 ' H ' ' HG1' ' A' ' 100' ' ' THR . 50.8 mt-10 -131.73 76.01 75.21 Favored Pre-proline 0 N--CA 1.497 1.876 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.6 -19.65 38.19 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.302 1.334 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -79.74 5.8 12.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 0.0 109.663 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -80.23 106.42 12.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.122 -0.986 . . . . 0.0 109.493 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.665 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.6 OUTLIER -74.76 -36.84 62.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.0 109.854 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -56.15 -43.41 78.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 109.818 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.89 76.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.167 -0.958 . . . . 0.0 109.578 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.25 -38.73 92.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.782 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -62.33 -55.1 31.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.137 -0.977 . . . . 0.0 109.427 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.2 -42.7 51.89 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.556 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.019 -1.05 . . . . 0.0 108.959 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.88 -46.06 59.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.374 -0.829 . . . . 0.0 109.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.1 mt -57.22 -46.9 82.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.179 -0.951 . . . . 0.0 109.151 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.26 -51.18 74.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.576 -0.702 . . . . 0.0 109.7 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.49 -37.61 65.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.841 . . . . 0.0 109.905 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.73 -52.71 64.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.044 -1.035 . . . . 0.0 109.915 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.9 75.19 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.0 mtp -49.27 -47.33 46.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.552 -0.717 . . . . 0.0 110.31 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? . . . . . 0 N--CA 1.489 1.511 0 O-C-N 120.678 -1.264 . . . . 0.0 109.281 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' H2 ' ' H ' ' A' ' 2' ' ' GLU . 15.9 ptt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 41.3 mt-10 -69.64 75.92 0.42 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 109.47 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.71 120.78 16.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.443 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.5 t -75.03 111.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 0.0 109.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.47 160.93 30.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.415 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -79.72 67.68 5.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -0.91 . . . . 0.0 109.539 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -161.22 143.04 11.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.24 -87.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -147.62 119.06 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.252 -0.905 . . . . 0.0 109.723 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' A' ' 13' ' ' ASP . 93.4 p -63.1 137.98 58.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.287 -0.883 . . . . 0.0 108.924 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.07 -27.14 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 109.168 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.06 -46.91 69.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 108.967 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.48 ' H ' ' HG ' ' A' ' 10' ' ' SER . 10.3 t70 -64.65 -37.84 88.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.361 -0.837 . . . . 0.0 109.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -49.3 56.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.1 -1.0 . . . . 0.0 109.524 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.2 -29.89 61.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.919 -1.113 . . . . 0.0 109.423 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -50.83 -53.69 30.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 108.881 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.36 -25.15 64.04 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.153 -0.967 . . . . 0.0 108.744 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.25 -35.82 74.05 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' CB ' ' HZ1' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.52 -48.56 71.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -58.76 -48.82 79.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.371 -0.831 . . . . 0.0 108.957 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.78 -34.06 57.88 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -53.17 11.67 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.843 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -58.74 -50.07 75.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.757 -1.214 . . . . 0.0 109.883 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 29' ' ' SER . 69.0 mt-10 -58.25 -51.93 67.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.085 -1.009 . . . . 0.0 108.95 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 73.8 tttt -58.19 -39.16 78.21 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.0 109.163 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.94 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.26 -14.75 28.56 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.98 10.71 45.23 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -154.55 158.6 40.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.444 -1.033 . . . . 0.0 109.185 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.18 126.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.332 -0.855 . . . . 0.0 109.371 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -70.51 139.75 51.68 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.433 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -56.74 -30.22 63.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.194 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -54.38 -49.43 69.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.46 ' HG1' ' CD ' ' A' ' 24' ' ' GLU . 5.3 m -66.49 -39.89 88.96 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -58.38 -38.86 78.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 109.253 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 24.6 m-85 -71.63 -50.37 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.365 -0.835 . . . . 0.0 110.177 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -72.03 -15.01 62.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.134 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -78.82 -34.73 45.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.752 -1.218 . . . . 0.0 109.075 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.02 -38.3 66.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.145 -0.972 . . . . 0.0 109.175 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.619 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.19 -52.44 63.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.092 . . . . 0.0 108.24 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 m -53.51 -39.86 64.95 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.554 -0.716 . . . . 0.0 109.688 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 45' ' ' SER . 13.3 mt -77.44 -43.65 31.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.054 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.84 -20.12 3.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 O-C-N 120.964 -1.085 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.619 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 36.8 mtm180 -112.0 29.17 8.1 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 8.2 p -83.42 159.33 21.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 0.0 109.651 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -79.96 -6.69 57.99 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.377 -0.827 . . . . 0.0 109.102 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -106.2 142.2 36.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.22 -48.63 50.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.918 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -51.8 -31.32 26.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.923 -1.111 . . . . 0.0 110.525 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.79 -29.84 70.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.096 . . . . 0.0 108.861 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -78.59 -40.62 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.898 . . . . 0.0 108.579 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -54.55 -31.4 56.48 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -83.82 -40.88 18.15 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.92 79.0 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.15 -42.03 58.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.266 -1.137 . . . . 0.0 108.99 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.9 -45.0 96.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.9 mt -49.55 -50.08 43.56 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.631 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.6 mt -71.31 -41.41 69.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.65 -41.7 55.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.019 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.42 -28.71 62.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 mt -76.3 -31.13 58.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.171 -0.955 . . . . 0.0 110.829 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 5.6 mp -52.43 -55.77 28.82 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.709 -1.245 . . . . 0.0 111.063 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -58.06 -25.55 71.29 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -85.36 -13.32 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.386 -0.821 . . . . 0.0 110.188 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.56 157.05 19.4 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.1 m -70.63 -165.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -1.092 . . . . 0.0 109.177 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -74.41 -37.94 63.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.028 -1.045 . . . . 0.0 109.736 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -71.85 -48.96 42.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.09 -30.53 62.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 109.035 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -72.34 -40.27 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.184 -0.948 . . . . 0.0 109.115 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 53.7 mtm180 -51.67 -34.2 37.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.39 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.44 -51.87 10.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.085 -1.009 . . . . 0.0 109.536 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.2 m-85 -63.1 -35.6 80.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 109.392 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.2 t -58.59 -40.19 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 108.468 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.43 -43.21 93.15 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.792 -0.568 . . . . 0.0 110.587 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.804 -1.185 . . . . 0.0 110.417 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.54 -44.71 95.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 109.871 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.57 -33.27 73.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.2 t -75.75 -37.26 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.98 . . . . 0.0 110.063 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.24 -42.72 65.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -76.38 -29.6 57.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.159 -1.201 . . . . 0.0 109.547 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.83 -44.0 86.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.559 ' C ' ' H ' ' A' ' 85' ' ' LYS . 15.9 ptm180 -75.16 -36.38 61.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 110.445 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 86' ' ' GLU . 95.0 mt -67.52 32.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.721 -1.237 . . . . 0.0 110.46 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.559 ' H ' ' C ' ' A' ' 83' ' ' ARG . 74.3 tttt 64.91 -37.56 0.22 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.224 -0.923 . . . . 0.0 110.338 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.5 95.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.738 -1.226 . . . . 0.0 108.687 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' LYS . 65.0 m-85 -84.15 -41.84 16.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 0.0 110.557 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -43.78 75.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.925 . . . . 0.0 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -54.11 -49.41 69.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.947 -1.096 . . . . 0.0 109.133 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.66 67.74 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.3 tp -70.19 -23.9 63.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.499 -0.751 . . . . 0.0 109.637 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -77.61 -35.69 52.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -74.79 -39.87 61.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.652 -0.655 . . . . 0.0 109.644 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.28 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 110.278 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -72.46 -48.11 43.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.611 -1.306 . . . . 0.0 109.615 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.7 78.63 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.0 tp -58.73 -37.32 75.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.621 -0.929 . . . . 0.0 108.776 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.738 -1.226 . . . . 0.0 109.402 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -53.32 -24.3 11.52 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 35.6 p -95.33 -48.3 5.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 45.3 mt-10 -129.49 77.94 76.43 Favored Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.87 -0.519 . . . . 0.0 110.166 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.08 -25.58 65.94 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.341 1.361 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.7 3.42 5.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -82.47 105.43 13.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.139 -0.976 . . . . 0.0 109.513 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.636 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -73.39 -42.59 61.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.94 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -56.46 -29.36 61.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.22 -27.72 42.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 109.019 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -74.96 -50.28 17.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.845 . . . . 0.0 109.72 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.46 -37.99 73.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 109.296 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.75 -40.79 98.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.052 -1.03 . . . . 0.0 108.702 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.01 -34.47 70.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.087 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' LYS . 94.2 mtt180 -63.31 -49.25 74.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.492 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.01 -51.71 68.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.227 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -57.02 -53.01 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.342 -0.849 . . . . 0.0 110.004 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.45 -37.56 74.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.215 -0.928 . . . . 0.0 109.918 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 112' ' ' ARG . 50.1 tttm -68.77 -39.79 80.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.181 -0.949 . . . . 0.0 110.087 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.14 70.78 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.947 -1.095 . . . . 0.0 108.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 31.5 mtm -51.19 -40.8 59.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.223 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.66 -26.45 61.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.587 -1.321 . . . . 0.0 109.195 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 122' ' ' GLY . 65.3 tttm -66.86 -61.04 2.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.86 . . . . 0.0 109.427 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.26 3.91 0.81 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.231 -0.918 . . . . 0.0 109.358 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -113.2 -1.62 25.02 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.3 mt 53.61 108.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.691 -0.887 . . . . 0.0 109.821 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -161.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.028 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.33 39.37 2.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' A' ' 126' ' ' MET . 1.6 mpt? 47.74 -120.73 1.23 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.177 -1.19 . . . . 0.0 109.091 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.85 132.28 42.38 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.096 -1.002 . . . . 0.0 108.671 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 90.7 mt -123.2 159.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.522 -0.736 . . . . 0.0 109.426 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.453 ' C ' ' H ' ' A' ' 131' ' ' GLY . 41.0 t -147.83 86.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 76.87 -21.95 2.44 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 167.66 -163.91 37.51 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.8 ttm -65.45 -42.84 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.227 -1.161 . . . . 0.0 109.433 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -162.03 -172.59 3.3 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 0.0 109.529 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.7 mt -76.3 -153.3 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.35 -0.844 . . . . 0.0 109.598 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -149.15 163.48 29.16 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 137' ' ' ALA . 9.1 t -69.3 63.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -1.124 . . . . 0.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 136' ' ' VAL . . . 52.25 98.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.494 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -165.48 75.88 0.15 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -71.9 -95.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.32 -1.106 . . . . 0.0 109.186 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.31 -92.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.201 -0.937 . . . . 0.0 109.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 63.91 12.19 47.42 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.95 25.59 3.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.241 -1.152 . . . . 0.0 109.227 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 9.0 tp -160.59 -23.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.146 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -74.83 -171.5 27.84 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.624 ' CD2' ' H ' ' A' ' 145' ' ' LEU . 1.9 pt? -68.54 -158.51 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.249 -1.148 . . . . 0.0 109.762 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -147.08 -167.95 2.91 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.765 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.721 ' HD1' ' H ' ' A' ' 147' ' ' HIS . 2.3 m80 -50.35 129.27 21.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.892 . . . . 0.0 109.496 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -74.2 111.32 9.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -68.06 79.85 0.22 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.257 -0.902 . . . . 0.0 109.429 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -169.29 117.63 0.64 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.662 ' HD1' ' H ' ' A' ' 151' ' ' HIS . 1.3 m80 -64.86 -150.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.46 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 96.8 m-70 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.492 ' C ' ' H ' ' A' ' 3' ' ' ALA . 16.4 ptt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 11.2 mp0 -74.55 20.38 0.12 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.898 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 1' ' ' MET . . . 53.8 -175.49 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.442 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.1 t 50.24 91.07 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.303 -0.873 . . . . 0.0 109.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 mp -70.05 77.16 0.5 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 109.352 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.511 ' CG ' ' H ' ' A' ' 7' ' ' GLU . 65.9 t30 -165.64 -172.95 2.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.618 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' A' ' 6' ' ' ASN . 2.7 tp10 62.11 137.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.385 -0.822 . . . . 0.0 109.63 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.53 -55.76 5.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 109.374 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.7 t -147.72 139.17 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.607 -0.683 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 t -79.02 140.6 37.92 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.237 -0.914 . . . . 0.0 108.907 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.14 -23.58 13.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.83 -45.84 66.95 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.94 -49.31 68.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.4 -0.813 . . . . 0.0 110.418 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.21 90.49 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.966 -1.084 . . . . 0.0 109.954 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.12 -33.92 59.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.79 -1.194 . . . . 0.0 109.486 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' CB ' ' HZ2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.74 -44.44 77.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.863 -1.148 . . . . 0.0 108.257 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.1 m-85 -71.86 -28.97 63.89 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.49 -36.93 71.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -55.9 -43.29 77.13 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.0 -48.76 64.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.245 -0.91 . . . . 0.0 108.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.58 -42.53 71.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.313 -0.867 . . . . 0.0 108.886 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.35 -50.4 32.62 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.486 -0.759 . . . . 0.0 109.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.4 m -61.11 -40.77 95.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.797 -1.189 . . . . 0.0 109.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.54 -46.75 83.51 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.477 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.6 mmmt -57.16 -41.24 78.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.004 -1.06 . . . . 0.0 108.78 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.36 72.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -17.62 18.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 91.69 13.92 57.46 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 108.931 -1.667 . . . . 0.0 108.931 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 m -157.79 154.78 28.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.04 . . . . 0.0 109.638 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.88 128.47 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.458 -0.776 . . . . 0.0 109.581 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.71 146.91 30.83 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -58.86 -25.77 63.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.509 -0.744 . . . . 0.0 109.525 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -49.79 75.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.353 -0.842 . . . . 0.0 110.319 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -65.47 -43.92 88.79 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.989 -1.069 . . . . 0.0 109.677 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -52.16 -43.31 64.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 49.4 m-85 -71.09 -49.18 47.24 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 109.763 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 61.4 mt-10 -58.71 -30.47 67.46 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.677 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -88.31 -27.35 21.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.134 -0.978 . . . . 0.0 110.391 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.43 15.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.785 -1.197 . . . . 0.0 109.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 6.9 p-90 -59.53 -37.28 77.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.698 -1.252 . . . . 0.0 108.548 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 55.1 m -55.59 -34.27 64.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.786 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 mt -79.46 -58.62 3.11 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.046 -1.034 . . . . 0.0 111.919 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 m -54.84 -17.52 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.861 -1.149 . . . . 0.0 110.187 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -94.58 21.18 7.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 109.264 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -101.49 -162.82 0.96 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.211 -0.931 . . . . 0.0 109.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -121.47 0.64 10.01 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -95.22 116.44 28.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.302 -0.873 . . . . 0.0 109.125 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.4 -49.03 62.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 110.133 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -51.53 -31.77 25.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.974 -1.079 . . . . 0.0 110.338 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.53 -30.59 63.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.969 -1.082 . . . . 0.0 109.463 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.12 -45.46 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.945 -1.097 . . . . 0.0 108.903 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -54.27 -54.13 44.29 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -68.15 -34.76 76.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.509 -0.744 . . . . 0.0 109.054 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.36 95.57 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.75 -39.76 84.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 120.988 -1.301 . . . . 0.0 108.835 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.55 -45.64 96.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.33 -45.85 46.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.772 -0.58 . . . . 0.0 109.975 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -41.37 60.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.721 -1.237 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -52.0 -41.86 62.53 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 110.211 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -73.03 -30.08 63.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.134 -0.978 . . . . 0.0 109.789 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.0 -30.52 61.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 110.939 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mp -53.02 -56.38 24.27 Favored Pre-proline 0 N--CA 1.486 1.338 0 O-C-N 120.793 -1.192 . . . . 0.0 111.202 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -58.92 -31.27 95.18 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.651 0.901 . . . . 0.0 110.203 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -76.17 -20.67 57.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.109 -0.994 . . . . 0.0 110.193 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.05 156.27 21.3 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.9 p -64.8 -166.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -1.194 . . . . 0.0 109.171 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -74.54 -35.92 63.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.979 -1.075 . . . . 0.0 109.065 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 71' ' ' ARG . 13.6 tp10 -71.33 -47.39 56.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.128 -0.983 . . . . 0.0 108.887 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 52.0 mt-10 -56.12 -28.25 57.11 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.39 -0.819 . . . . 0.0 109.173 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -72.03 -45.75 59.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.277 -0.889 . . . . 0.0 109.456 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.54 ' NH1' ' CG ' ' A' ' 101' ' ' GLU . 33.1 mtm180 -51.26 -33.49 28.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.107 -0.995 . . . . 0.0 109.767 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.54 -51.54 16.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.925 -1.109 . . . . 0.0 109.237 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.8 m-85 -62.6 -29.52 70.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 0.0 109.051 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.65 -42.86 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -58.85 -45.02 91.1 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.85 -0.531 . . . . 0.0 110.217 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -65.83 -39.76 91.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.735 -1.228 . . . . 0.0 109.799 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.28 -45.13 94.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 109.497 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.53 63.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.111 -0.993 . . . . 0.0 109.043 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.2 -42.33 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.38 -0.825 . . . . 0.0 109.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.04 -41.52 95.11 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -68.78 -29.54 67.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.088 -1.242 . . . . 0.0 109.475 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.34 -30.04 70.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 108.917 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 85' ' ' LYS . 21.5 mmt180 -70.64 -45.33 65.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.28 -0.887 . . . . 0.0 109.775 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 86' ' ' GLU . 80.4 mt -70.91 29.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 83' ' ' ARG . 35.3 mttp 55.52 2.59 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 110.094 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 84' ' ' LEU . 55.7 mt-10 -74.16 92.34 2.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.947 -1.096 . . . . 0.0 108.97 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -83.74 -31.62 25.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.914 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -72.54 -48.73 37.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.747 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -66.99 -40.67 87.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.182 -0.949 . . . . 0.0 109.919 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.05 74.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.953 -1.092 . . . . 0.0 109.438 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 95' ' ' ARG . 3.8 mp -76.01 -18.35 59.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.234 -0.916 . . . . 0.0 109.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.17 -36.8 69.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.453 -1.405 . . . . 0.0 107.579 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -77.93 -43.68 29.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.8 -0.562 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.23 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.239 -0.913 . . . . 0.0 110.844 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 20.9 mmm180 -70.05 -45.66 66.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.25 -1.531 . . . . 0.0 109.241 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.88 73.38 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 100' ' ' THR . 20.0 tp -59.67 -39.4 84.35 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.496 -1.002 . . . . 0.0 108.964 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 62.3 mt -75.7 -38.47 58.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.117 . . . . 0.0 109.612 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -52.28 -24.2 7.02 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.512 ' HG1' ' H ' ' A' ' 101' ' ' GLU . 17.3 p -96.99 -43.51 7.41 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' CG ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -131.4 76.75 75.09 Favored Pre-proline 0 N--CA 1.501 2.096 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -9.85 26.58 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.47 1.447 . . . . 0.0 109.571 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.92 -6.5 58.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -74.87 97.94 3.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.013 -1.054 . . . . 0.0 109.742 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.42 -41.39 84.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.672 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -56.8 -28.09 60.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.94 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.33 -30.24 48.05 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.109 -0.994 . . . . 0.0 109.086 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.12 -51.22 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.873 . . . . 0.0 109.726 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.0 -32.43 67.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.143 -0.973 . . . . 0.0 109.086 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.36 -42.86 99.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 108.697 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.98 -36.22 82.81 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.821 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -55.53 -45.63 77.15 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.438 -0.789 . . . . 0.0 109.637 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -57.49 -42.93 83.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.59 -49.78 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.86 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.57 -49.37 70.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 110.072 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -56.91 -48.38 78.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.101 -0.999 . . . . 0.0 110.258 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 121' ' ' ASP . . . -57.5 -49.12 77.33 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.056 -1.028 . . . . 0.0 108.484 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 23.5 mtp -47.78 -47.47 30.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.641 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.09 -50.37 72.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.53 -1.356 . . . . 0.0 109.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 122' ' ' GLY . 44.8 mtpt -71.51 -53.57 13.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.545 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 117' ' ' ALA . 83.7 m-20 -68.88 8.14 0.57 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.323 -0.861 . . . . 0.0 109.675 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -84.83 67.56 3.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 123' ' ' LEU . 3.8 mm? -61.95 159.44 14.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -1.141 . . . . 0.0 109.617 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' MET . 24.3 t -148.24 148.15 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.77 83.7 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 124' ' ' VAL . 14.3 ptp -57.17 -37.91 72.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -1.13 . . . . 0.0 109.388 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.78 132.51 30.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.326 -0.858 . . . . 0.0 109.367 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.1 mt -109.68 152.64 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.573 -0.705 . . . . 0.0 109.101 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.1 t -146.29 -8.8 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.156 -0.965 . . . . 0.0 109.34 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.24 81.58 0.15 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.26 3.36 53.33 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 132' ' ' MET . 0.0 OUTLIER 59.3 74.28 0.45 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -1.128 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 135' ' ' GLY . . . -171.41 27.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.171 0.986 . . . . 0.0 109.305 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -70.9 36.35 0.05 OUTLIER 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' A' ' 133' ' ' ALA . . . -82.87 6.23 71.51 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.08 -13.04 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -1.144 . . . . 0.0 109.53 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.57 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.459 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.92 67.56 2.01 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 13.9 mt -74.21 -1.64 21.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -1.177 . . . . 0.0 109.35 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.25 166.35 14.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.501 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -97.48 41.72 2.26 Favored Glycine 0 N--CA 1.497 2.759 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.47 -46.38 12.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.1 -1.235 . . . . 0.0 108.967 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.43 -41.28 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -86.57 173.76 45.98 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.49 -150.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -1.141 . . . . 0.0 109.277 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.94 -37.19 3.64 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.504 -0.747 . . . . 0.0 109.378 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -78.88 179.89 6.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 0.0 109.509 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.688 ' CD2' ' H ' ' A' ' 149' ' ' HIS . 8.6 t-160 -164.45 -156.75 0.34 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.36 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.688 ' H ' ' CD2' ' A' ' 148' ' ' HIS . 0.1 OUTLIER -173.67 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 109.306 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -58.64 -67.36 0.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.393 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 51.17 -125.38 2.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.454 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.482 ' HD1' ' C ' ' A' ' 152' ' ' HIS . 4.6 t-80 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.511 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 mmt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.305 0.574 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.88 -2.76 0.23 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.211 -0.931 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -168.67 104.32 0.42 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.226 -0.921 . . . . 0.0 109.419 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.34 67.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.256 -0.902 . . . . 0.0 109.527 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 3' ' ' ALA . 13.8 mt 52.47 -154.46 0.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.477 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -155.46 141.32 18.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 0.0 109.455 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.26 110.84 1.03 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.98 -80.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.31 118.41 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.441 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.427 ' OG ' ' OD1' ' A' ' 13' ' ' ASP . 88.1 p -64.91 134.02 53.09 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.222 -0.924 . . . . 0.0 108.883 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.66 -25.36 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.137 -0.977 . . . . 0.0 109.026 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 38.0 mm-40 -70.71 -47.76 58.09 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.09 -1.007 . . . . 0.0 109.012 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.8 m-20 -67.96 -33.74 75.24 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.202 -0.936 . . . . 0.0 109.546 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 3.1 tm? -72.44 -49.47 33.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.138 -0.976 . . . . 0.0 109.328 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LYS . 89.8 mt -76.62 -28.52 56.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.891 -1.131 . . . . 0.0 110.233 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -58.72 -46.36 87.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.835 -1.166 . . . . 0.0 109.365 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.06 -28.96 62.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.759 -1.213 . . . . 0.0 108.614 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.42 -31.27 57.81 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . 17.9 tptm -55.63 -47.82 75.96 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' OG1' ' A' ' 34' ' ' THR . 3.7 mtmp? -60.6 -43.63 97.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.019 -1.05 . . . . 0.0 108.859 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.95 -34.56 56.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.321 -0.862 . . . . 0.0 109.507 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -73.79 -53.41 10.33 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -57.59 -49.77 75.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.787 -1.196 . . . . 0.0 109.892 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 81.6 mt-10 -57.8 -51.73 68.37 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.156 -0.965 . . . . 0.0 108.73 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 19.8 ttpp -57.47 -40.86 79.47 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.2 -0.938 . . . . 0.0 109.055 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.94 70.52 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.76 -15.37 28.77 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 98.65 10.68 49.59 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -150.41 158.9 44.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.442 -1.034 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -139.69 126.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -81.41 140.44 34.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -56.32 -27.29 55.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.513 -0.742 . . . . 0.0 109.257 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.7 p -54.3 -43.29 70.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.897 . . . . 0.0 109.701 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.527 ' OG1' ' NZ ' ' A' ' 20' ' ' LYS . 52.7 m -82.61 -48.2 11.23 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.171 -0.956 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -53.1 -46.31 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.152 -0.967 . . . . 0.0 109.328 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t80 -71.06 -48.68 51.32 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.514 -0.741 . . . . 0.0 110.071 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 21.2 mm-40 -71.38 -14.6 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.476 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 7.6 t80 -77.05 -35.99 56.38 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.273 -0.892 . . . . 0.0 108.865 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.74 71.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.185 -0.947 . . . . 0.0 109.098 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.14 -48.32 68.02 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.68 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.455 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 8.7 m -54.49 -41.71 69.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.712 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -78.59 -39.7 36.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.107 -0.996 . . . . 0.0 110.948 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -52.72 -23.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.878 -1.139 . . . . 0.0 109.536 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.3 OUTLIER -101.88 22.69 12.57 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.2 t -82.92 165.49 19.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.036 -1.04 . . . . 0.0 109.635 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -90.38 1.16 56.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.253 -0.904 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -108.93 145.18 35.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.436 -0.79 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -70.71 -48.24 55.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.911 . . . . 0.0 110.223 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 36.4 p-10 -52.05 -34.76 44.85 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.99 -1.069 . . . . 0.0 110.56 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 6.0 m-20 -68.0 -32.71 73.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.87 -1.144 . . . . 0.0 109.14 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.8 mt -78.48 -45.04 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.83 -1.169 . . . . 0.0 108.562 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -53.99 -54.33 40.61 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' HZ3' ' HH ' ' A' ' 38' ' ' TYR . 43.0 tttt -55.32 -47.9 74.96 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.12 -36.69 91.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 55' ' ' ILE . 61.3 mt -71.02 -40.01 75.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 121.124 -1.221 . . . . 0.0 108.87 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.26 -47.95 85.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.9 mt -49.06 -50.4 36.76 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.76 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -69.17 -42.71 75.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.873 -1.142 . . . . 0.0 110.111 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.72 -37.29 50.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.903 -1.123 . . . . 0.0 109.785 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -74.4 -29.23 61.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 109.734 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.93 -30.79 58.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.263 -0.898 . . . . 0.0 110.819 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -53.57 -55.71 32.26 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 120.758 -1.214 . . . . 0.0 111.1 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -51.73 -28.36 29.82 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 N-CA-C 109.606 -0.959 . . . . 0.0 109.606 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.1 7.14 47.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.859 . . . . 0.0 108.962 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.78 149.41 18.51 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 t -64.52 -175.94 0.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.273 . . . . 0.0 108.661 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -76.08 -46.89 26.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.689 -1.257 . . . . 0.0 109.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.32 -44.48 68.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.94 -32.56 67.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.476 -0.765 . . . . 0.0 109.004 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -69.52 -38.98 77.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.126 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CZ ' ' OE2' ' A' ' 101' ' ' GLU . 39.4 mtm180 -52.55 -39.62 61.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.027 . . . . 0.0 109.254 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.07 -45.18 58.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.049 -1.032 . . . . 0.0 108.491 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 7.3 m-30 -57.25 -40.42 77.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.23 -35.33 48.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.677 -0.639 . . . . 0.0 110.82 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -68.72 -39.32 80.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.522 -1.361 . . . . 0.0 110.197 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.62 -44.65 96.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.104 -0.997 . . . . 0.0 109.764 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.45 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 0.0 109.269 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.76 -39.46 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.12 -42.31 84.54 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -65.7 -27.33 68.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -1.127 . . . . 0.0 109.548 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -74.23 -29.38 61.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.882 . . . . 0.0 108.904 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -67.66 -46.45 72.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 0.0 109.554 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 86' ' ' GLU . 51.8 mt -69.21 20.69 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.232 -0.918 . . . . 0.0 110.144 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER 65.53 -8.31 0.29 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 109.556 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -67.45 97.66 0.59 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.053 -1.029 . . . . 0.0 109.192 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.36 -36.45 22.49 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 0.0 109.768 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 23.0 mp0 -64.87 -50.12 67.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -0.932 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.68 71.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.0 109.801 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.87 -18.57 9.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 108.953 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -74.48 -41.72 60.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.975 -1.078 . . . . 0.0 108.382 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -75.88 -35.26 59.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.547 -0.72 . . . . 0.0 110.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.09 -33.18 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.109 -0.994 . . . . 0.0 110.337 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.69 -46.59 62.87 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.401 -1.437 . . . . 0.0 109.086 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.01 -28.95 74.08 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.492 ' O ' ' OG1' ' A' ' 100' ' ' THR . 22.2 tp -60.65 -36.97 80.01 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.541 -0.976 . . . . 0.0 108.833 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.83 -34.64 60.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.186 . . . . 0.0 109.132 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.85 -24.93 17.41 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 41.5 p -94.48 -48.22 6.21 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' OE2' ' CZ ' ' A' ' 71' ' ' ARG . 48.0 mt-10 -128.44 77.33 77.34 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.792 -0.568 . . . . 0.0 110.056 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.94 -24.54 53.09 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.287 1.325 . . . . 0.0 109.604 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.45 0.4 22.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 0.0 109.62 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -80.84 107.16 13.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -75.23 -38.33 60.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.824 . . . . 0.0 109.896 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 3.1 mp0 -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.58 -28.37 45.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.085 -1.01 . . . . 0.0 109.107 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.43 -50.85 16.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.79 -31.93 67.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.127 -0.983 . . . . 0.0 109.13 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.61 -42.65 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 108.931 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.39 -28.67 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.586 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -67.04 -42.53 84.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 0.0 109.881 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.23 -46.88 82.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 61.0 mt -67.99 -52.62 37.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.608 -0.683 . . . . 0.0 109.688 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.79 -44.54 82.0 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.33 -0.856 . . . . 0.0 109.853 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 -52.55 64.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.04 78.29 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 22.3 ttm -49.46 -46.89 48.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.544 -0.722 . . . . 0.0 110.697 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.06 67.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.35 . . . . 0.0 109.204 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' A' ' 122' ' ' GLY . 18.0 tptm -55.38 -58.3 8.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.21 21.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -151.06 54.12 0.48 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.26 111.64 1.02 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -1.08 . . . . 0.0 109.806 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -158.18 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 126' ' ' MET . . . -46.06 124.38 7.37 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 126' ' ' MET . 0.4 OUTLIER -56.28 -104.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 0.0 109.213 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.4 132.73 41.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.21 -0.932 . . . . 0.0 109.128 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.8 mm -137.93 159.89 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.9 t -146.43 60.65 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.248 -0.907 . . . . 0.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.78 -72.77 0.21 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.11 53.41 45.83 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -170.92 -38.79 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -1.16 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.89 159.33 30.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.242 -0.911 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.07 163.41 24.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.945 . . . . 0.0 109.471 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -73.18 -61.88 3.3 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -66.5 68.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.209 -1.171 . . . . 0.0 109.492 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -77.07 51.35 0.81 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.187 -0.945 . . . . 0.0 109.497 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -71.97 54.56 1.39 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.7 -49.84 28.66 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -1.144 . . . . 0.0 109.408 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.59 173.84 0.89 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.889 . . . . 0.0 109.518 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 170.51 103.47 0.17 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.97 4.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 15.1 tt -87.55 -42.84 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.242 -0.911 . . . . 0.0 109.475 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 150.55 -50.21 0.54 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 145' ' ' LEU . 2.9 mm? -63.46 -111.57 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.305 -1.115 . . . . 0.0 109.23 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.515 ' OE2' ' N ' ' A' ' 147' ' ' HIS . 1.2 tm-20 65.85 140.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.515 ' N ' ' OE2' ' A' ' 146' ' ' GLU . 32.8 m-70 -147.06 49.48 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.507 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 4.2 t60 -77.61 -48.6 16.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.304 -0.873 . . . . 0.0 109.293 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.619 ' CE1' ' CE1' ' A' ' 150' ' ' HIS . 9.6 t-160 51.02 -119.62 1.45 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.619 ' CE1' ' CE1' ' A' ' 149' ' ' HIS . 0.1 OUTLIER -153.02 65.02 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 34.9 t60 -166.0 -73.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.41 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 65.7 m-70 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.467 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -169.08 80.76 0.13 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.21 136.09 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.0 109.368 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -169.36 151.56 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.308 -0.87 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.22 -175.16 4.02 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.288 -0.882 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -88.32 -165.12 1.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 0.0 109.421 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.99 147.63 25.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.334 -0.854 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -113.11 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.12 -0.988 . . . . 0.0 109.066 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.32 125.61 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.451 -0.781 . . . . 0.0 109.363 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.8 p -59.55 139.54 57.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.213 -0.929 . . . . 0.0 108.916 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.55 -28.05 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 108.982 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 59.6 mt-10 -65.93 -45.72 80.81 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.049 -1.032 . . . . 0.0 109.464 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.61 -45.34 87.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.852 . . . . 0.0 110.581 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mt -65.03 -44.72 88.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.742 -1.224 . . . . 0.0 109.808 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.46 -33.58 48.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.741 -1.224 . . . . 0.0 110.008 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 29.8 ttpt -56.14 -52.31 64.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.025 -1.047 . . . . 0.0 109.535 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.66 -26.96 60.21 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.167 -0.958 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.24 -36.69 74.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' NZ ' ' OG ' ' A' ' 23' ' ' SER . 3.8 tptp -54.36 -47.94 72.02 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -57.74 -49.58 76.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.204 -0.935 . . . . 0.0 109.041 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -53.98 -33.75 57.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.4 -0.812 . . . . 0.0 109.093 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -74.27 -52.8 11.23 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.299 -0.876 . . . . 0.0 109.937 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.468 ' OG ' ' NZ ' ' A' ' 19' ' ' LYS . 10.2 m -62.58 -50.91 69.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.587 -1.32 . . . . 0.0 110.421 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' SER . 63.6 mt-10 -58.37 -38.95 78.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.044 -1.035 . . . . 0.0 108.968 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 28' ' ' GLY . 39.0 tttm -69.83 -40.53 75.79 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.72 70.97 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -14.86 27.28 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 92.27 14.92 55.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' GLU . 54.9 m -153.7 123.54 6.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.266 -1.138 . . . . 0.0 109.727 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.87 123.8 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.503 -0.748 . . . . 0.0 109.738 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -72.58 140.07 47.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.45 -0.781 . . . . 0.0 109.363 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -56.9 -28.64 62.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.188 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 34' ' ' THR . 97.8 p -54.95 -48.49 73.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.865 . . . . 0.0 109.48 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.465 ' H ' ' HG ' ' A' ' 33' ' ' SER . 6.0 m -63.8 -46.64 84.25 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.165 -0.96 . . . . 0.0 109.189 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.02 -39.3 66.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 20.6 m-85 -66.65 -52.38 45.63 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.179 -0.95 . . . . 0.0 110.718 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 1.5 mp0 -72.42 -14.74 61.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.024 -1.047 . . . . 0.0 110.115 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -77.58 -34.61 53.58 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.977 -1.077 . . . . 0.0 108.977 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' O ' ' CG2' ' A' ' 43' ' ' VAL . . . -72.89 -36.17 67.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.278 -0.889 . . . . 0.0 109.117 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.644 ' HE1' ' NH2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -56.44 -53.02 62.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.997 -1.064 . . . . 0.0 108.396 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.8 m -53.86 -40.9 66.93 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.631 -0.668 . . . . 0.0 110.196 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.7 mt -76.55 -38.43 55.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 39' ' ' ALA . 71.3 t -53.0 -19.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.116 -0.99 . . . . 0.0 108.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.644 ' NH2' ' HE1' ' A' ' 40' ' ' TRP . 50.1 mtm180 -119.09 16.67 13.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.025 -0.422 . . . . 0.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.54 ' C ' ' H ' ' A' ' 47' ' ' TYR . 2.3 m -73.59 16.03 0.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.761 -1.212 . . . . 0.0 110.728 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 44' ' ' ARG . 78.8 tttt 60.58 -35.65 0.08 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.249 -0.907 . . . . 0.0 111.392 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.54 ' H ' ' C ' ' A' ' 45' ' ' SER . 69.8 m-85 -79.08 142.31 36.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.618 -1.301 . . . . 0.0 109.42 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 49' ' ' ASP . 2.7 p-10 -70.71 -47.0 62.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.289 -0.882 . . . . 0.0 110.188 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 36.2 t70 -52.34 -39.47 60.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 110.747 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.59 -31.2 63.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.82 -1.175 . . . . 0.0 109.376 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.48 -43.51 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.935 -1.103 . . . . 0.0 108.75 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -51.77 -44.12 63.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -64.39 -38.86 92.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.81 69.4 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 55' ' ' ILE . 11.4 mm -58.37 -54.85 27.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 120.984 -1.303 . . . . 0.0 108.424 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.9 t -53.24 -51.05 43.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.5 mt -48.88 -47.65 42.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.402 -0.811 . . . . 0.0 109.816 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.25 -43.69 40.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.694 -1.254 . . . . 0.0 110.29 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -52.53 -41.65 63.66 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.772 -1.205 . . . . 0.0 110.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.31 -31.59 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.0 109.695 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.9 mt -76.02 -30.83 58.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.233 -0.917 . . . . 0.0 111.247 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.8 mp -51.75 -55.06 33.34 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 120.728 -1.233 . . . . 0.0 111.374 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.2 Cg_exo -54.08 -25.26 36.29 Favored 'Trans proline' 0 C--N 1.321 -0.877 0 CA-C-N 119.396 0.82 . . . . 0.0 110.12 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.57 49.48 0.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.302 -0.874 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 157.92 27.5 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -76.06 -170.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 0.0 109.319 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.3 -38.3 65.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.024 -1.048 . . . . 0.0 109.575 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.97 -42.24 63.53 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.64 -39.26 73.37 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -64.52 -45.45 87.16 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.852 . . . . 0.0 109.511 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -50.05 -31.72 13.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.008 -1.058 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -76.5 -41.19 47.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.903 -1.123 . . . . 0.0 109.234 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m-85 -73.54 -39.49 64.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.888 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.77 -33.39 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -65.94 -48.56 70.97 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.479 -0.763 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.35 -39.94 89.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.835 -1.165 . . . . 0.0 110.179 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.16 -24.47 66.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.365 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.78 -34.56 60.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.142 -0.973 . . . . 0.0 109.12 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.59 -35.86 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.686 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.93 -44.34 94.7 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -67.99 -29.19 68.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.178 -1.189 . . . . 0.0 109.754 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -62.65 -38.75 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 85' ' ' LYS . 70.5 mtt180 -75.25 -43.59 50.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.996 -1.065 . . . . 0.0 110.049 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.559 ' C ' ' H ' ' A' ' 86' ' ' GLU . 73.5 mt -64.13 29.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.904 -1.122 . . . . 0.0 110.621 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.603 ' H ' ' C ' ' A' ' 83' ' ' ARG . 19.2 mtpp 63.2 -34.11 0.13 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.131 -0.981 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.06 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.649 -1.282 . . . . 0.0 108.825 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 58.5 m-85 -84.59 -38.67 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.386 -0.821 . . . . 0.0 110.307 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.86 -47.46 68.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.077 -1.015 . . . . 0.0 110.888 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -55.44 -52.53 63.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.834 -1.166 . . . . 0.0 109.788 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.77 55.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 108.671 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tp -75.82 -19.4 58.96 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.7 -46.88 18.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.513 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -65.65 -48.94 70.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -0.853 . . . . 0.0 110.197 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.01 -39.86 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.935 . . . . 0.0 109.785 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -57.14 -34.73 68.7 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.708 -1.245 . . . . 0.0 108.065 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.87 95.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 101' ' ' GLU . 2.7 mm? -57.32 -39.07 75.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.225 -1.162 . . . . 0.0 108.969 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 100' ' ' THR . 10.4 mt -76.36 -50.01 15.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.142 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -54.49 -16.55 2.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.791 -1.193 . . . . 0.0 107.786 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.542 ' HG1' ' H ' ' A' ' 101' ' ' GLU . 23.5 p -103.46 -48.7 3.9 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.625 0.726 . . . . 0.0 109.207 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.542 ' H ' ' HG1' ' A' ' 100' ' ' THR . 69.0 mm-40 -138.35 83.24 21.76 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.834 -0.541 . . . . 0.0 109.941 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 5.1 Cg_exo -61.26 -15.58 41.08 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.053 1.169 . . . . 0.0 109.432 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -82.09 -2.73 52.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.431 -0.793 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -82.52 106.26 14.24 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -74.6 -31.51 62.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.0 109.904 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.86 -32.6 65.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.92 -27.77 43.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 108.903 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 88.3 mttt -75.3 -50.6 15.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.849 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.61 -34.64 69.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.129 -0.982 . . . . 0.0 109.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.37 -44.48 91.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 108.719 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.17 -33.64 67.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 108.465 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.23 -50.78 70.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.48 -0.762 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.45 -46.8 83.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 67.7 mt -63.14 -42.3 96.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.532 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -72.71 -45.06 60.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.905 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -56.92 -38.56 73.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.674 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.68 76.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 108.418 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.2 mtt -46.96 -48.32 21.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 109.918 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.91 -36.36 83.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.547 -1.346 . . . . 0.0 109.239 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 122' ' ' GLY . 19.4 ttpp -66.72 -56.88 8.54 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -0.886 . . . . 0.0 109.377 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.93 54.94 0.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.0 109.457 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -149.25 52.31 0.53 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.08 111.22 0.45 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -1.089 . . . . 0.0 109.606 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 125' ' ' GLY . 7.5 p -97.52 160.46 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.609 -0.682 . . . . 0.0 109.539 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 116.12 -71.81 0.27 Allowed Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 126' ' ' MET . 1.5 mpt? -51.98 -97.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -1.141 . . . . 0.0 109.046 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.68 131.76 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.186 -0.946 . . . . 0.0 108.901 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.4 mt -124.99 144.08 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.59 -0.694 . . . . 0.0 109.355 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.89 -40.68 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.328 -0.858 . . . . 0.0 109.212 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -54.57 -11.86 2.99 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.41 175.51 37.29 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 39.2 mtt -70.93 136.77 48.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -1.148 . . . . 0.0 109.551 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.51 157.84 31.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 109.358 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.06 103.45 3.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.252 -0.905 . . . . 0.0 109.455 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -68.07 -140.43 0.08 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 67.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -1.15 . . . . 0.0 109.427 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -72.9 -90.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.241 -0.912 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.67 100.74 0.15 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.5 mp -53.74 -65.68 0.52 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.51 -160.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 0.0 109.398 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 171.63 42.5 0.04 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.86 -75.82 0.13 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -1.183 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 17.2 pt -87.93 9.72 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.4 116.62 9.62 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.1 mt -79.0 -152.31 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -1.168 . . . . 0.0 109.446 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 146' ' ' GLU . 1.6 mp0 -84.38 74.71 10.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.26 -0.9 . . . . 0.0 109.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -162.9 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.493 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.653 ' CG ' ' H ' ' A' ' 149' ' ' HIS . 0.3 OUTLIER -173.44 -102.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.499 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.653 ' H ' ' CG ' ' A' ' 148' ' ' HIS . 3.9 m-70 -51.26 -65.17 0.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.482 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 149' ' ' HIS . 57.8 m80 -157.95 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.413 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.3 -178.14 0.46 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 109.448 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.507 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 54.44 83.96 0.07 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.893 . . . . 0.0 109.468 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -174.37 132.43 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.526 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' ALA . 94.3 t 51.45 98.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.0 109.598 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -54.31 -177.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.256 -0.903 . . . . 0.0 109.476 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -99.3 94.9 6.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.378 -0.826 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 9' ' ' VAL . 15.4 pt-20 -85.12 178.87 7.38 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.944 . . . . 0.0 109.348 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.6 mp -51.22 91.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.074 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' A' ' 7' ' ' GLU . 20.2 t 56.96 116.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.622 -0.674 . . . . 0.0 110.295 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 145.78 53.2 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.24 -28.46 14.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.074 -1.016 . . . . 0.0 108.672 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 14.5 mm-40 -66.61 -44.81 81.06 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.44 -46.52 79.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -44.0 95.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.937 -1.102 . . . . 0.0 109.932 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.45 -37.53 51.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.929 -1.107 . . . . 0.0 109.451 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' NZ ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.97 -46.73 75.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.966 . . . . 0.0 109.023 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 19.5 m-85 -74.85 -27.9 60.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.098 -1.001 . . . . 0.0 108.822 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.34 -37.14 74.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -54.07 -45.87 71.86 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -56.72 -48.01 78.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.018 -1.051 . . . . 0.0 108.435 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.59 -33.41 66.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.245 -0.909 . . . . 0.0 109.233 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -73.1 -52.39 14.43 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.412 -0.805 . . . . 0.0 109.692 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 m -64.65 -47.71 77.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.777 -1.202 . . . . 0.0 109.971 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' SER . 52.1 mm-40 -57.58 -40.41 78.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.121 -0.987 . . . . 0.0 108.891 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' GLY . 72.9 tttt -71.22 -37.35 72.05 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.936 . . . . 0.0 108.774 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -41.55 71.26 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -14.96 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 91.68 16.69 51.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.7 m -156.67 123.41 5.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.441 -1.035 . . . . 0.0 109.514 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.0 121.55 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.536 -0.727 . . . . 0.0 109.523 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -71.69 138.97 48.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.809 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.14 -31.45 65.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.088 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -54.14 -49.13 69.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.485 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.1 m -64.88 -44.67 88.9 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.122 -0.986 . . . . 0.0 109.135 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -55.2 -37.31 66.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 109.517 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 21.9 m-85 -69.85 -51.32 34.48 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.226 -0.921 . . . . 0.0 110.583 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 67.0 mt-10 -72.02 -16.05 62.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.129 -0.982 . . . . 0.0 110.613 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -78.91 -34.42 44.66 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 109.108 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.29 69.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.194 -0.941 . . . . 0.0 108.996 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.494 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.9 -52.93 63.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 108.4 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -53.05 -38.9 62.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.137 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.09 -39.78 48.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.915 -1.115 . . . . 0.0 110.35 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.7 t -53.1 -21.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 O-C-N 121.101 -0.999 . . . . 0.0 109.925 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -117.14 31.02 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.741 -0.599 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 p -85.12 159.26 20.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 109.575 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 45.7 tttp -82.23 34.64 0.42 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.292 -0.88 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 39.7 m-85 -150.64 141.75 23.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.15 -0.969 . . . . 0.0 109.273 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -71.38 -45.78 61.97 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 0.0 110.28 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 35.3 p-10 -50.73 -35.46 31.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.017 -1.052 . . . . 0.0 110.749 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 4.2 m-20 -74.25 -34.3 63.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.931 -1.105 . . . . 0.0 109.436 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -76.96 -52.92 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.823 -1.173 . . . . 0.0 109.581 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 -25.19 9.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -80.18 -41.92 24.38 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.66 -40.55 96.63 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.64 -42.98 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 O-C-N 120.815 -1.403 . . . . 0.0 108.08 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 99.3 t -61.37 -47.88 91.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.117 -0.989 . . . . 0.0 108.552 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.5 mt -48.5 -48.83 37.85 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.688 -0.632 . . . . 0.0 110.025 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.1 mt -70.48 -37.74 74.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.773 -1.205 . . . . 0.0 110.087 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.29 -43.45 64.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.063 -1.023 . . . . 0.0 110.212 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -71.97 -29.67 64.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.074 -1.016 . . . . 0.0 109.749 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.51 -30.36 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.125 -0.984 . . . . 0.0 110.936 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.3 mp -52.4 -55.94 27.18 Favored Pre-proline 0 N--CA 1.487 1.399 0 O-C-N 120.772 -1.205 . . . . 0.0 111.247 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 Cg_exo -54.88 -30.29 67.73 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.521 0.814 . . . . 0.0 110.13 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.2 33.53 1.08 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.184 -0.948 . . . . 0.0 109.772 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.57 154.8 23.83 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 44.3 t -71.68 -170.93 0.6 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -1.156 . . . . 0.0 109.247 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -74.58 -39.32 62.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.665 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 8.0 mm-40 -71.15 -48.42 51.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 108.87 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.24 -33.0 64.99 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 0.0 108.842 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 66' ' ' SER . 38.9 mt-30 -67.46 -42.51 82.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 108.878 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' OE2' ' A' ' 68' ' ' GLU . 58.9 mtm180 -52.48 -30.63 31.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.173 -0.954 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -76.26 -51.98 10.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.098 -1.001 . . . . 0.0 109.524 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.1 m-85 -61.91 -30.66 71.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.089 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.2 -39.32 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.07 -43.77 91.79 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.799 -0.563 . . . . 0.0 110.238 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -71.33 -37.49 71.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.851 -1.155 . . . . 0.0 110.101 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.94 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.616 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.8 90.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.27 -39.55 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.61 87.75 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -65.62 -26.22 67.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.248 -1.148 . . . . 0.0 109.147 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.76 -30.1 67.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.4 mmt180 -71.24 -48.44 51.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.478 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 86' ' ' GLU . 47.5 mt -67.71 45.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 109.604 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 83' ' ' ARG . 16.2 ptmt 31.17 31.3 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.207 0.527 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' LEU . 12.3 tp10 -106.39 97.03 6.88 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -85.37 -30.81 23.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.449 -0.782 . . . . 0.0 110.627 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 6.9 mp0 -66.58 -52.46 45.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.145 . . . . 0.0 110.806 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -67.74 -41.25 83.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.887 -1.133 . . . . 0.0 110.209 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.88 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 109.571 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 mp -61.53 -19.71 62.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.09 -1.006 . . . . 0.0 109.035 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -71.1 -39.06 72.34 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.935 -1.103 . . . . 0.0 108.442 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -76.31 -42.0 46.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.637 -0.664 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -32.81 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -71.18 -48.09 53.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.471 -1.393 . . . . 0.0 109.219 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.61 -31.31 80.47 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 21.5 tp -57.96 -38.69 76.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.531 -0.982 . . . . 0.0 108.918 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 75.0 mt -75.79 -33.58 60.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.831 -1.168 . . . . 0.0 109.579 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -53.94 -25.16 19.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 43.1 p -94.06 -48.71 6.11 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -130.36 77.69 75.67 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.793 -0.567 . . . . 0.0 110.093 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.424 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 2.3 Cg_endo -65.24 -17.28 58.04 Favored 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.307 1.338 . . . . 0.0 109.711 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -80.7 -2.83 48.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 0.0 109.708 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.05 102.46 5.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -69.98 -41.79 73.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.88 -28.5 56.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.269 -0.894 . . . . 0.0 109.391 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.56 -30.96 47.16 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.0 109.152 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 84.1 mttt -72.43 -50.82 23.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.907 . . . . 0.0 109.692 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.78 -31.42 68.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.382 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.66 -40.82 97.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -61.13 -34.16 74.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.268 -0.895 . . . . 0.0 109.423 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.701 ' HE ' ' HZ2' ' A' ' 116' ' ' LYS . 50.0 mtp180 -63.37 -43.52 97.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.9 mt -57.0 -48.0 79.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.093 -1.005 . . . . 0.0 109.126 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.9 mt -66.58 -52.77 42.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.575 -0.703 . . . . 0.0 109.83 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.94 -41.4 78.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.701 ' HZ2' ' HE ' ' A' ' 112' ' ' ARG . 45.4 mttp -58.26 -51.87 67.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.016 . . . . 0.0 109.727 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' O ' ' OD2' ' A' ' 121' ' ' ASP . . . -57.72 -49.56 76.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.6 ttm -47.99 -47.2 33.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.585 -0.697 . . . . 0.0 110.155 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.24 -31.62 23.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.722 -1.236 . . . . 0.0 109.205 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 31.0 ttmt -86.92 45.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.264 -0.898 . . . . 0.0 109.334 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 117' ' ' ALA . 60.7 m-20 -159.02 7.87 0.11 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.934 . . . . 0.0 109.204 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 123' ' ' LEU . . . -155.86 -32.56 0.03 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.1 mt 52.56 105.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.3 t -62.01 159.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.276 -0.89 . . . . 0.0 109.2 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 84.34 -98.5 2.18 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.9 mmt 47.77 -112.62 0.47 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.295 -1.12 . . . . 0.0 109.697 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.91 129.04 34.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 109.737 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -179.24 169.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.2 t -147.26 -16.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.276 -0.89 . . . . 0.0 109.34 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.92 134.01 1.57 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.426 ' C ' ' SD ' ' A' ' 132' ' ' MET . . . -173.79 146.09 8.59 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.2 mpt? 51.83 -135.62 1.45 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -1.141 . . . . 0.0 109.475 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.52 140.68 4.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.15 173.96 5.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.464 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -177.25 -43.65 0.06 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.66 -12.5 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -1.126 . . . . 0.0 109.484 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.31 1.28 5.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.441 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 65.88 70.06 1.19 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.44 82.98 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -1.119 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.49 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 109.441 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 157.84 45.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 142' ' ' LEU . 7.2 mp -72.61 -118.09 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.374 -1.074 . . . . 0.0 109.424 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 18.5 pt -77.55 -27.58 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -0.939 . . . . 0.0 109.419 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -78.0 130.17 9.98 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 145' ' ' LEU . 0.6 OUTLIER -147.99 -171.67 3.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.262 -1.14 . . . . 0.0 109.409 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -54.79 138.26 42.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 109.458 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -161.71 86.5 0.65 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.452 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 148' ' ' HIS . 62.7 t60 -168.55 15.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 151' ' ' HIS . 12.1 t-80 -166.81 2.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.378 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 152' ' ' HIS . 57.7 t-80 -64.62 76.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.338 -0.852 . . . . 0.0 109.554 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 149' ' ' HIS . 11.7 t60 55.72 -82.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.459 -0.776 . . . . 0.0 109.718 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.583 ' HD1' ' H ' ' A' ' 152' ' ' HIS . 13.8 m80 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.472 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.573 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -166.63 -47.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.57 122.99 37.72 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.186 -0.946 . . . . 0.0 109.406 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.94 138.0 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.311 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.487 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.7 mm? -88.52 94.26 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.05 20.25 1.03 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.173 -0.954 . . . . 0.0 108.967 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 8' ' ' LEU . 33.7 tt0 -173.28 109.99 0.18 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' O ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -50.81 -100.2 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.46 -0.775 . . . . 0.0 109.485 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.0 t -86.89 141.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 m -80.51 133.69 35.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.62 -25.77 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 108.896 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 51.7 mt-10 -65.89 -46.62 77.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.232 -0.918 . . . . 0.0 108.952 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -68.04 -34.2 76.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.278 -0.889 . . . . 0.0 109.945 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -49.73 55.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.01 . . . . 0.0 109.48 -179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -78.44 -34.56 47.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.964 . . . . 0.0 110.512 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.5 tmmm? -52.01 -45.34 64.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.008 -1.058 . . . . 0.0 109.271 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.06 -27.39 48.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.1 -1.0 . . . . 0.0 108.845 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -55.31 -47.44 75.6 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.12 -47.96 81.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.049 -1.032 . . . . 0.0 108.76 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.03 -32.72 66.47 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.263 -0.898 . . . . 0.0 109.2 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -73.19 -52.3 14.64 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.575 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.667 ' HG ' ' N ' ' A' ' 24' ' ' GLU . 21.4 p -62.72 -48.82 77.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.789 -1.195 . . . . 0.0 110.039 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.667 ' N ' ' HG ' ' A' ' 23' ' ' SER . 16.9 mm-40 -57.66 -42.59 83.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.139 -0.976 . . . . 0.0 109.07 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -68.37 -39.91 81.63 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.204 -0.935 . . . . 0.0 108.905 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.15 74.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.16 -15.46 14.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.39 53.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.13 122.72 7.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.435 -1.038 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.52 121.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.717 . . . . 0.0 109.636 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -73.79 137.52 43.94 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.424 -0.798 . . . . 0.0 109.423 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.7 -28.66 61.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -0.892 . . . . 0.0 109.237 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 m -61.8 -49.02 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -67.53 -40.7 85.06 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.171 -0.956 . . . . 0.0 109.242 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -60.98 -45.65 93.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 108.798 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.1 m-85 -65.59 -49.83 67.35 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.525 -0.735 . . . . 0.0 110.449 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 44.5 mt-10 -70.79 -14.91 62.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.933 -1.104 . . . . 0.0 109.748 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -78.75 -37.21 41.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.166 -0.959 . . . . 0.0 109.028 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.81 -37.69 73.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.106 -0.996 . . . . 0.0 108.887 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -54.14 -51.33 64.62 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 m -53.2 -40.27 64.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.819 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.81 -42.15 34.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.026 -1.046 . . . . 0.0 110.403 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -53.28 -21.49 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 O-C-N 121.059 -1.026 . . . . 0.0 109.835 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -107.72 31.01 5.79 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.738 -0.601 . . . . 0.0 109.681 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 46' ' ' LYS . 8.5 t -96.84 159.93 14.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.991 -1.068 . . . . 0.0 109.282 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.562 ' N ' ' HG ' ' A' ' 45' ' ' SER . 72.0 tttt -79.53 -9.75 59.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -93.57 138.61 31.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.44 -47.96 58.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.0 110.015 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -32.05 20.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 110.252 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.4 -34.47 77.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.929 -1.107 . . . . 0.0 108.956 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.4 mt -79.68 -47.11 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.869 -1.144 . . . . 0.0 108.466 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.481 HH11 ' HG2' ' A' ' 52' ' ' ARG . 3.0 ttt-85 -55.54 -27.84 51.29 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -83.64 -46.97 11.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.07 91.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 HD13 HG22 ' A' ' 55' ' ' ILE . 65.0 mt -65.08 -44.42 95.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.057 -1.26 . . . . 0.0 108.83 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.08 -48.35 88.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.7 mt -49.53 -43.65 45.83 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 120.316 -0.554 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.36 -45.37 55.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.705 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -52.65 -35.62 55.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.19 -0.944 . . . . 0.0 110.288 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.7 -35.03 65.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.089 -1.007 . . . . 0.0 110.361 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.62 -29.19 56.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.137 -0.977 . . . . 0.0 110.925 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 mp -50.98 -56.03 23.05 Favored Pre-proline 0 N--CA 1.487 1.398 0 O-C-N 120.759 -1.213 . . . . 0.0 110.9 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.6 Cg_exo -54.23 -27.78 49.03 Favored 'Trans proline' 0 C--N 1.323 -0.777 0 N-CA-C 110.033 -0.795 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -93.34 26.33 2.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.223 -0.923 . . . . 0.0 109.494 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.22 154.54 20.88 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -73.92 -169.25 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -1.114 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -74.36 -38.29 63.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.053 . . . . 0.0 109.695 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.96 -49.49 51.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.191 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.58 -32.65 69.15 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.303 -0.873 . . . . 0.0 109.075 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.24 -45.93 78.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.133 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -52.43 -30.8 31.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.938 . . . . 0.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.19 -51.91 11.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.012 -1.055 . . . . 0.0 109.566 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.1 m-85 -61.8 -33.84 74.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.079 -1.013 . . . . 0.0 109.185 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.6 t -58.87 -39.57 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.57 -46.57 88.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.764 -0.585 . . . . 0.0 110.572 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -68.13 -37.75 81.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.706 -1.246 . . . . 0.0 110.246 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -43.65 96.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.6 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.111 -0.993 . . . . 0.0 109.292 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.49 -38.39 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.09 -41.9 69.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -69.45 -27.29 65.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -1.207 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.5 t80 -71.51 -29.88 65.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 109.413 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.55 ' C ' ' H ' ' A' ' 85' ' ' LYS . 61.1 ttt180 -72.94 -42.71 63.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.113 -0.992 . . . . 0.0 109.976 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 86' ' ' GLU . 74.5 mt -70.36 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.965 -1.084 . . . . 0.0 109.926 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.55 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.3 mtpt 58.85 -0.59 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 0.0 110.061 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.07 94.6 4.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.026 . . . . 0.0 108.698 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.72 -36.43 21.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.94 -50.77 69.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.76 -45.77 88.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.977 . . . . 0.0 109.903 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.5 73.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 mp -58.83 -18.35 31.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.157 -0.964 . . . . 0.0 109.021 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.87 -39.73 61.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.827 -1.17 . . . . 0.0 108.525 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -76.21 -37.8 57.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 110.13 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -31.69 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.301 -178.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -75.25 -48.24 24.28 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.468 -1.395 . . . . 0.0 109.206 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.42 -28.64 71.44 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.3 -38.8 92.58 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.5 -1.0 . . . . 0.0 108.354 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.88 -29.66 44.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.016 -1.053 . . . . 0.0 110.67 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -53.74 -37.36 63.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -34.45 16.58 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -133.91 73.98 69.96 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.607 -0.683 . . . . 0.0 109.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.0 -18.67 57.44 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.444 1.429 . . . . 0.0 109.727 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.41 -4.8 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.275 -0.891 . . . . 0.0 109.961 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -74.66 104.52 5.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.485 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -74.46 -40.55 61.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.44 -28.48 59.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.179 -0.95 . . . . 0.0 109.424 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.33 -27.27 47.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.073 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -74.33 -50.73 17.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.82 -32.67 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.42 -43.59 98.6 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.8 -34.14 75.37 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -57.04 -45.02 83.5 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.54 -0.725 . . . . 0.0 109.653 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.36 -46.26 83.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.176 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 52.6 mt -66.45 -46.55 86.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.386 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -54.95 -41.71 71.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.734 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.4 -49.99 72.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 0.0 109.858 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.53 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.149 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.8 mtp -47.98 -48.43 32.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.542 -0.724 . . . . 0.0 110.209 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.35 -20.6 60.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.522 -1.362 . . . . 0.0 109.105 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' ' 122' ' ' GLY . 5.8 tppt? -67.49 -2.67 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 0.0 109.239 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.69 24.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.22 -0.925 . . . . 0.0 109.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 93.37 -20.83 44.03 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.4 mt -49.53 138.58 13.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.135 -1.215 . . . . 0.0 109.001 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.6 t -70.83 137.13 24.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.306 -0.872 . . . . 0.0 109.592 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 159.62 -78.68 0.17 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.2 mmt 46.56 -139.08 0.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.249 -1.148 . . . . 0.0 109.551 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.81 133.17 52.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 0.0 109.007 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 129' ' ' VAL . 96.0 mt -125.96 162.56 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.216 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 5.1 t -145.96 -5.57 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.257 -0.902 . . . . 0.0 109.365 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.13 20.03 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 168.72 -109.06 0.32 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.0 mmt 52.35 21.99 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -1.118 . . . . 0.0 109.422 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.38 144.14 46.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.37 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.51 -155.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.16 -0.963 . . . . 0.0 109.393 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.77 60.86 5.04 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.6 m -73.58 102.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -1.165 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.75 160.53 43.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.44 86.41 0.93 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.5 mt -81.39 -22.54 38.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.44 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 142' ' ' LEU . . . -141.53 14.56 2.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.301 -0.875 . . . . 0.0 109.363 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -45.62 92.5 0.01 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 144' ' ' GLY . 5.7 mt -78.61 118.27 20.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -1.104 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' A' ' 143' ' ' ILE . 1.6 mp 61.11 -42.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 CA-C-O 120.84 0.352 . . . . 0.0 110.337 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 142' ' ' LEU . . . 162.3 -173.56 38.6 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.2 mt -87.67 108.6 19.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -1.124 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.522 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 22.0 mp0 -46.41 126.19 7.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.305 -0.872 . . . . 0.0 109.682 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 148' ' ' HIS . 64.0 t60 -58.48 124.09 18.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.512 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 147' ' ' HIS . 37.6 m-70 -72.14 162.03 30.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.657 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 0.9 OUTLIER -168.89 -133.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 109.508 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.657 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 93.0 m-70 -157.33 -153.53 0.41 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -169.13 114.99 0.59 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.502 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.321 0.581 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -168.17 -46.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.89 114.68 9.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.7 t -147.5 75.47 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.6 mm? -90.38 178.89 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 109.161 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 1.3 p-10 -164.55 47.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.461 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.33 80.2 0.2 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.023 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.5 -23.37 66.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t -148.93 117.2 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.287 -0.883 . . . . 0.0 109.457 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -81.04 141.29 34.52 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.41 -26.86 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 108.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 81.4 mm-40 -65.93 -45.85 80.34 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.98 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.69 -46.04 84.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.264 -0.898 . . . . 0.0 110.423 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.53 91.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.98 -1.075 . . . . 0.0 109.709 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.39 -36.91 45.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 32.9 ttpt -51.84 -54.27 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.986 -1.071 . . . . 0.0 108.989 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.04 -25.83 64.67 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 108.981 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.31 -35.77 73.87 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -53.96 -47.09 71.69 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -62.36 -48.98 77.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.975 . . . . 0.0 108.794 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -53.65 -37.16 62.85 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.131 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -72.36 -52.53 15.68 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.488 -0.758 . . . . 0.0 109.935 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.91 -50.16 74.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.762 -1.211 . . . . 0.0 109.829 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 29' ' ' SER . 11.8 mm-40 -58.41 -52.0 67.47 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.096 -1.002 . . . . 0.0 108.933 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.6 ttpt -57.16 -41.06 78.48 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.171 -0.956 . . . . 0.0 108.933 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.78 64.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -14.85 34.03 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.75 10.68 46.07 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -153.75 159.1 41.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -1.033 . . . . 0.0 109.191 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.84 123.68 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.372 -0.83 . . . . 0.0 109.426 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.0 m -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 109.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -57.75 -35.72 71.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.306 -0.871 . . . . 0.0 109.166 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.6 t -55.41 -49.55 72.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.71 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.8 m -64.77 -39.43 93.6 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.112 -0.992 . . . . 0.0 109.02 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.532 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -62.28 -37.1 84.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 108.874 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 15.1 m-85 -68.91 -51.31 41.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.293 -0.879 . . . . 0.0 110.464 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 96.1 mt-10 -68.76 -14.27 62.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.853 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -79.24 -34.65 42.55 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.391 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.26 -34.69 68.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.059 -1.026 . . . . 0.0 108.917 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.71 -53.19 60.64 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.268 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.9 m -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 -178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.22 -55.94 4.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -54.65 -18.25 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.758 -1.214 . . . . 0.0 109.913 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -102.69 19.25 19.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 109.068 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 32.0 t -85.25 -151.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.18 -0.95 . . . . 0.0 109.599 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 45' ' ' SER . 9.0 ptmm? -138.99 39.67 2.14 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.357 -0.84 . . . . 0.0 109.14 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -152.82 131.04 11.97 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -59.49 -39.21 83.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.391 -0.818 . . . . 0.0 111.555 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.79 -44.33 63.4 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.656 -1.277 . . . . 0.0 111.027 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -74.67 -45.2 46.14 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.971 -1.081 . . . . 0.0 109.312 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.13 -48.26 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.746 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -54.63 -30.11 53.97 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -85.4 -40.52 16.37 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.03 -30.83 76.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.66 -42.93 62.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -1.122 . . . . 0.0 109.108 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.17 -44.03 91.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 O-C-N 121.221 -0.925 . . . . 0.0 108.682 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.6 mt -49.06 -46.9 45.12 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.707 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.1 -42.59 46.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.933 -1.105 . . . . 0.0 109.98 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -51.19 -42.22 60.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -0.996 . . . . 0.0 109.891 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -73.34 -32.02 64.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 109.94 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 mt -77.79 -29.67 50.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.99 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.5 mp -51.76 -55.59 28.69 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.779 -1.201 . . . . 0.0 111.181 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.4 Cg_exo -52.17 -18.1 6.96 Favored 'Trans proline' 0 C--N 1.321 -0.875 0 CA-C-N 119.258 0.771 . . . . 0.0 110.364 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 58.25 0.7 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.413 -0.804 . . . . 0.0 110.072 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.12 161.15 29.24 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -70.14 -176.57 1.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -1.182 . . . . 0.0 109.031 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -74.55 -41.08 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.999 -1.063 . . . . 0.0 109.516 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.82 -37.41 62.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.74 -39.23 84.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -65.32 -41.74 93.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.079 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -52.55 -30.69 32.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.404 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.32 -52.05 10.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 109.333 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.8 m-85 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 108.986 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.1 t -60.68 -41.3 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 108.842 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 65.3 t80 -59.23 -47.61 84.69 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.671 -0.643 . . . . 0.0 110.788 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -65.46 -36.85 85.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.738 -1.226 . . . . 0.0 110.665 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.72 -44.1 93.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 109.697 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.23 70.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.41 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.75 -42.98 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.066 -1.021 . . . . 0.0 110.112 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.47 90.31 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.11 -30.25 60.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.187 -1.184 . . . . 0.0 109.638 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -63.21 -31.7 72.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.332 -0.855 . . . . 0.0 109.115 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' ' 85' ' ' LYS . 56.5 mtp180 -76.5 -42.88 41.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.313 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 86' ' ' GLU . 64.3 mt -70.23 33.84 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.2 tttp 63.65 -31.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.277 -0.89 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 84' ' ' LEU . 43.2 mt-10 -49.83 95.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.732 -1.23 . . . . 0.0 108.742 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.6 m-85 -83.82 -42.59 16.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.0 110.751 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.83 -42.4 63.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.895 . . . . 0.0 110.672 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -54.26 -48.97 70.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.891 -1.131 . . . . 0.0 108.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.63 69.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.283 -0.886 . . . . 0.0 109.004 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.62 -21.43 61.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.485 -0.76 . . . . 0.0 109.305 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.51 -36.21 57.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.366 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -75.27 -40.9 58.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.65 -0.656 . . . . 0.0 109.754 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -34.67 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.319 -0.863 . . . . 0.0 110.584 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -71.57 -48.0 51.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.457 -1.402 . . . . 0.0 109.841 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.11 76.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.02 -37.56 77.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.652 -0.91 . . . . 0.0 109.075 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.9 mt -75.66 -28.91 58.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.73 -1.231 . . . . 0.0 109.917 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 3.2 tp60 -57.93 -28.62 64.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 60.7 p -87.95 -50.58 6.33 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.647 -0.658 . . . . 0.0 109.667 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -130.7 78.02 74.59 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.667 -0.645 . . . . 0.0 110.153 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.524 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 5.8 Cg_exo -62.7 -13.42 33.88 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 C-N-CA 121.212 1.275 . . . . 0.0 109.517 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -81.67 -3.25 53.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.799 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -76.85 97.0 4.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 109.587 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -65.83 -43.67 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.889 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' NE2' ' CZ ' ' A' ' 75' ' ' PHE . 4.8 tt0 -55.24 -28.13 51.16 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.311 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.18 -27.97 42.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.148 -0.97 . . . . 0.0 109.048 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 64.4 mttm -73.72 -50.42 20.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.852 . . . . 0.0 109.611 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.3 -37.46 72.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.14 -0.975 . . . . 0.0 109.26 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.96 -38.55 91.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.095 -1.003 . . . . 0.0 108.78 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.28 -32.61 74.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.855 . . . . 0.0 108.788 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -63.19 -47.02 84.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.496 -0.753 . . . . 0.0 109.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.54 -44.6 93.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 109.599 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.72 -45.7 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 109.618 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.2 -46.2 71.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.278 -0.889 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -70.26 -51.0 33.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 110.98 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.45 69.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.6 -1.313 . . . . 0.0 108.363 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.405 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 10.5 ttp -52.75 -30.23 31.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 110.207 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.27 -15.44 58.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.78 -1.2 . . . . 0.0 108.937 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 122' ' ' GLY . 1.6 ttmp? -78.2 -7.72 57.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.437 -0.789 . . . . 0.0 109.42 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 118' ' ' MET . 39.9 p-10 -71.34 16.04 0.11 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -140.75 66.97 0.49 Allowed Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.79 120.12 10.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.407 -1.055 . . . . 0.0 109.702 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.5 t -150.28 153.98 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.499 -0.75 . . . . 0.0 109.169 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 58.69 94.69 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 125' ' ' GLY . 18.4 mmt -49.08 -92.01 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -1.202 . . . . 0.0 109.212 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.18 133.09 42.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.204 -0.935 . . . . 0.0 109.08 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 129' ' ' VAL . 57.9 mt -138.19 166.59 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 0.0 108.705 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.487 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 32.7 t -146.89 -17.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.253 -0.904 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.43 78.4 0.03 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -173.44 121.73 0.87 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 42.2 ttp -165.04 -39.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.24 -1.153 . . . . 0.0 109.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.72 23.43 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.23 1.014 . . . . 0.0 109.282 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.77 63.08 2.77 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -164.28 74.15 0.17 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.06 78.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -1.159 . . . . 0.0 109.313 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -155.37 25.36 0.41 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -159.32 72.1 0.23 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.0 mp -140.89 -52.51 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.266 -1.137 . . . . 0.0 109.111 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.26 -108.01 0.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 159.65 87.3 0.06 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.86 -43.32 16.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -1.123 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 15.5 tt -171.91 -36.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.367 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 143.29 173.47 14.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.3 -153.43 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.169 -1.195 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' A' ' 148' ' ' HIS . 72.5 mm-40 -89.21 76.6 7.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.288 -0.882 . . . . 0.0 109.418 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 147' ' ' HIS . 66.1 t60 -75.89 26.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.424 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.507 ' H ' ' C ' ' A' ' 146' ' ' GLU . 40.8 t-80 51.96 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 0.0 109.485 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.25 72.93 0.31 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.477 ' O ' ' CE1' ' A' ' 148' ' ' HIS . 7.3 m-70 52.08 -166.4 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.263 -0.898 . . . . 0.0 109.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.83 128.22 34.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.551 ' N ' ' HD1' ' A' ' 152' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.501 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' ALA . 2.1 pp20? -163.84 137.74 5.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.426 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' GLU . . . 49.26 97.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 109.626 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.8 t -75.02 59.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -0.91 . . . . 0.0 109.622 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.36 -155.96 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.283 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -93.45 177.17 6.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.232 -0.918 . . . . 0.0 109.037 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' CD ' ' N ' ' A' ' 7' ' ' GLU . 1.3 pm0 -172.3 176.03 3.49 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.433 -0.792 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.65 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 13' ' ' ASP . 96.8 p -63.75 130.94 46.27 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.268 -0.895 . . . . 0.0 109.181 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -47.58 -25.28 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.273 -0.892 . . . . 0.0 109.084 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' OE2' ' N ' ' A' ' 12' ' ' GLU . 2.1 mp0 -70.99 -44.26 66.31 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.133 -0.979 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' H ' ' HG ' ' A' ' 10' ' ' SER . 9.1 t70 -62.55 -42.12 99.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.855 . . . . 0.0 110.714 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.23 -43.73 60.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.883 -1.136 . . . . 0.0 109.832 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 mt -78.34 -19.09 54.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.753 -1.217 . . . . 0.0 110.094 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.3 ttpt -68.74 -50.86 47.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.015 -1.053 . . . . 0.0 109.84 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.96 -26.59 54.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.969 -1.082 . . . . 0.0 109.497 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' OE2' ' CE1' ' A' ' 38' ' ' TYR . 5.8 tp10 -73.96 -33.88 64.05 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -54.36 -48.86 70.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 6.0 mtpp -58.34 -47.45 83.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.033 -1.042 . . . . 0.0 108.568 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -53.41 -32.44 49.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -73.19 -52.92 12.34 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.663 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.3 m -65.56 -47.43 75.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 110.033 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.01 -38.98 77.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.117 -0.989 . . . . 0.0 108.961 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -72.6 -37.19 68.2 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.158 -0.964 . . . . 0.0 108.749 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.93 72.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.63 12.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.0 17.0 53.18 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.5 m -153.86 121.33 5.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.514 -0.992 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.24 121.79 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.45 -0.781 . . . . 0.0 109.759 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -71.01 139.56 50.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.357 -0.839 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -56.17 -32.35 64.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.22 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -54.1 -49.1 69.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.555 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -65.39 -41.62 93.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.141 -0.974 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -58.1 -41.23 83.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.185 -0.947 . . . . 0.0 109.27 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 22.8 m-85 -68.06 -50.9 52.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.422 -0.799 . . . . 0.0 110.313 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.27 -14.71 61.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.123 -0.986 . . . . 0.0 110.453 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 20.3 t80 -77.01 -37.31 55.31 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.676 -1.265 . . . . 0.0 109.211 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.11 -37.37 69.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 109.301 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -47.74 75.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.884 -1.135 . . . . 0.0 108.095 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.8 m -54.71 -42.35 71.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.459 -0.775 . . . . 0.0 109.64 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.1 -41.31 35.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.193 -0.942 . . . . 0.0 110.766 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.7 t -52.83 -20.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.952 -1.093 . . . . 0.0 109.816 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.4 OUTLIER -113.71 27.42 9.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 0.0 109.414 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -87.07 158.47 19.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.929 -1.107 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -73.97 -11.84 60.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -94.77 136.68 34.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' OD1' ' A' ' 49' ' ' ASP . 13.1 p-10 -70.63 -48.65 53.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 110.017 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -52.22 -27.51 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.037 -1.04 . . . . 0.0 110.267 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.9 -29.92 69.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.963 -1.085 . . . . 0.0 108.99 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -77.6 -39.17 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -54.11 -54.69 36.01 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -57.74 -45.28 86.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.52 -40.55 96.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -67.66 -38.87 81.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 120.984 -1.304 . . . . 0.0 108.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.88 -47.02 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.2 mt -49.65 -49.07 48.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.899 -0.501 . . . . 0.0 110.09 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.88 -41.98 74.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.813 -1.18 . . . . 0.0 109.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -51.33 -39.13 56.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.034 -1.041 . . . . 0.0 109.979 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.63 -29.03 62.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.992 . . . . 0.0 109.779 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.64 -31.67 57.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.266 -0.897 . . . . 0.0 110.932 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.1 mp -53.68 -54.82 41.88 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 120.752 -1.217 . . . . 0.0 111.565 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.6 Cg_endo -56.52 -27.75 70.53 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 CA-C-N 119.553 0.876 . . . . 0.0 110.343 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.2 -4.28 57.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.165 -0.959 . . . . 0.0 110.18 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.47 154.52 20.4 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 6.7 m -68.76 -167.4 0.1 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -1.196 . . . . 0.0 108.937 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -41.18 60.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.888 -1.132 . . . . 0.0 109.342 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.54 -45.27 72.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.406 -0.809 . . . . 0.0 109.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 35.8 mt-10 -64.25 -30.09 71.16 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.142 -0.974 . . . . 0.0 109.529 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 66' ' ' SER . 32.6 mt-30 -66.77 -55.1 16.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.082 -1.011 . . . . 0.0 109.799 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -52.55 -26.63 13.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.984 -1.072 . . . . 0.0 109.613 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.98 -53.02 9.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.815 -1.178 . . . . 0.0 109.533 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 9.2 m-85 -61.99 -31.94 72.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.913 -1.117 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -59.36 -37.41 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.57 -46.13 89.83 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.824 -0.547 . . . . 0.0 110.119 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.45 -37.28 82.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.06 -45.08 96.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.0 109.612 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.9 68.84 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.08 -1.013 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.6 -38.93 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.12 -42.25 91.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -69.38 -28.04 65.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.191 -1.182 . . . . 0.0 109.653 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.34 -29.82 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 109.04 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.5 mmt180 -71.75 -44.21 64.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 0.0 109.659 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -72.17 27.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.149 -0.97 . . . . 0.0 109.914 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.6 mttp 56.42 2.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.96 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 84' ' ' LEU . 60.5 mm-40 -75.9 93.69 3.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.104 -0.998 . . . . 0.0 109.129 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.15 -36.49 22.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.27 -0.894 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.29 -50.6 72.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 0.0 109.982 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.97 -44.09 73.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.118 -0.989 . . . . 0.0 109.826 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.91 71.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mp -76.59 -19.48 57.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.556 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -73.31 -36.3 66.22 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -76.54 -39.5 52.7 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.736 -0.602 . . . . 0.0 109.95 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -31.34 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.209 -0.932 . . . . 0.0 110.675 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -70.87 -48.49 53.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.395 -1.441 . . . . 0.0 109.624 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.05 -29.51 75.56 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.94 -38.69 83.13 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.598 -0.943 . . . . 0.0 108.826 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.47 -33.72 60.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.786 -1.196 . . . . 0.0 109.378 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -53.63 -26.01 20.28 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 45.8 p -92.97 -48.61 6.44 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -128.43 77.74 76.73 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.84 -0.537 . . . . 0.0 110.075 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.34 -24.56 64.58 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.265 1.31 . . . . 0.0 109.693 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.548 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 7.6 pm0 -77.25 5.94 7.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 0.0 109.474 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -78.97 101.37 7.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.464 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -72.0 -36.94 69.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -56.8 -44.35 81.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.383 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.09 87.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.386 -0.821 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.26 -39.39 82.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.65 -51.6 67.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.131 -0.981 . . . . 0.0 109.578 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.23 -42.55 63.69 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.105 -0.997 . . . . 0.0 109.217 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.4 -49.39 77.76 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.07 -42.8 81.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 109.157 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 35.4 mt -71.68 -45.22 67.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.344 -0.848 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -42.17 84.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -55.93 -48.72 75.19 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.145 -0.972 . . . . 0.0 109.405 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.19 77.09 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.8 mmm -49.32 -47.89 46.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.446 -0.783 . . . . 0.0 110.423 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -68.2 -26.9 65.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.568 -1.332 . . . . 0.0 109.198 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.501 ' C ' ' H ' ' A' ' 122' ' ' GLY . 31.5 ttmt -74.33 -3.65 31.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.227 -0.921 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.05 8.8 0.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.208 -0.933 . . . . 0.0 109.554 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 84.07 17.8 64.31 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.62 120.31 23.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -1.167 . . . . 0.0 109.233 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.3 t -147.98 151.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.262 -0.899 . . . . 0.0 109.537 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 49.92 63.72 4.02 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' GLY . 47.5 mtt -59.54 -158.42 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -1.171 . . . . 0.0 108.892 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.39 129.12 27.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.96 -1.087 . . . . 0.0 109.029 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.6 mt -142.95 157.41 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.48 -21.67 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -54.6 -94.91 0.01 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 132' ' ' MET . . . 67.04 152.36 0.22 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 131' ' ' GLY . 11.4 tpt 59.29 153.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -1.072 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.13 145.31 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -78.68 -154.96 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 0.0 109.469 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.58 21.59 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 138' ' ' GLY . 39.7 t -79.35 -35.96 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.405 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 45.81 15.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.553 -0.717 . . . . 0.0 109.71 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 136' ' ' VAL . . . -69.07 72.68 0.4 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 141' ' ' GLY . 85.7 mt -136.58 -96.03 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.385 -1.068 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 44.68 15.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.364 -0.835 . . . . 0.0 110.363 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 139' ' ' LEU . . . 46.43 60.64 4.59 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.44 -160.43 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.193 -1.181 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.426 ' CD1' ' H ' ' A' ' 143' ' ' ILE . 0.0 OUTLIER -89.6 14.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.213 -0.93 . . . . 0.0 108.97 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.43 -4.14 6.26 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.0 tp -102.55 115.07 29.83 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 148' ' ' HIS . 76.1 mt-10 -148.63 -23.88 0.32 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.885 . . . . 0.0 109.363 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 51.45 -89.62 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.567 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 146' ' ' GLU . 15.0 t-80 -162.97 -32.39 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.672 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 12.8 t-80 -166.73 -141.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.263 -0.898 . . . . 0.0 109.464 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.672 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 10.2 p80 -172.3 146.48 1.84 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.198 -0.938 . . . . 0.0 109.446 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 5.7 t60 -170.91 126.06 0.69 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.244 -0.91 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 63.9 m80 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.422 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.1 ttm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.278 0.561 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -170.1 96.26 0.27 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.0 109.442 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.61 162.28 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 109.499 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.5 138.57 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.216 -0.927 . . . . 0.0 109.514 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 6' ' ' ASN . 13.1 mt -81.99 -154.24 0.12 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.253 -0.905 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' GLU . 3.5 m120 61.47 126.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.449 -0.782 . . . . 0.0 109.958 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' ASN . 34.3 tt0 54.58 106.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -51.98 120.32 5.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 108.801 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' LEU . 9.4 t 58.54 119.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.571 -0.706 . . . . 0.0 110.163 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -62.16 138.96 58.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.194 -0.941 . . . . 0.0 108.833 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.19 -25.12 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' OE2' ' N ' ' A' ' 12' ' ' GLU . 2.0 mp0 -70.3 -46.31 64.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.672 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.92 -37.27 86.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.957 . . . . 0.0 110.446 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.4 -44.68 57.97 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.844 -1.16 . . . . 0.0 109.402 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -78.18 -26.6 47.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.888 -1.133 . . . . 0.0 109.589 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.3 tmmm? -62.69 -44.38 96.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 109.021 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -78.17 -27.4 48.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.0 108.754 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -70.75 -37.91 73.45 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.36 -47.84 75.14 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -56.83 -46.7 81.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.096 -1.002 . . . . 0.0 108.813 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -53.5 -34.44 58.1 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.349 -0.844 . . . . 0.0 109.545 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -72.49 -53.64 11.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.135 -0.978 . . . . 0.0 109.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.586 ' HG ' ' N ' ' A' ' 24' ' ' GLU . 60.0 p -57.73 -50.05 74.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.798 -1.189 . . . . 0.0 109.756 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.586 ' N ' ' HG ' ' A' ' 23' ' ' SER . 13.3 mm-40 -58.64 -49.52 77.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.178 -0.951 . . . . 0.0 109.009 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -64.97 -39.28 93.24 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.24 -0.913 . . . . 0.0 108.968 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.17 72.64 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.57 -15.0 15.48 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.57 16.92 51.2 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 m -153.68 123.88 6.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.46 -1.023 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.99 118.83 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.516 -0.74 . . . . 0.0 109.688 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -70.16 137.8 51.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.458 -0.776 . . . . 0.0 109.413 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -57.95 -17.75 19.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.325 -0.859 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 t -66.95 -49.08 66.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.364 -0.835 . . . . 0.0 109.89 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -71.76 -37.33 70.54 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.065 -1.022 . . . . 0.0 109.19 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.522 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -56.64 -48.25 77.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 108.904 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.4 m-85 -64.0 -50.27 69.18 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.571 -0.706 . . . . 0.0 110.209 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.34 -13.51 62.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 109.826 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.523 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 52.2 t80 -80.55 -34.76 35.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.106 -0.996 . . . . 0.0 109.714 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.48 69.99 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.795 -1.191 . . . . 0.0 108.509 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.621 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.66 -52.48 65.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 108.843 179.426 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' TYR . 13.7 p -53.92 -38.8 65.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.875 . . . . 0.0 109.946 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 12.3 mt -77.57 -41.58 38.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.131 -0.981 . . . . 0.0 110.239 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.6 t -53.22 -19.29 2.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.039 -1.038 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.621 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 47.0 mtm180 -113.74 27.78 9.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.796 -0.565 . . . . 0.0 109.617 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.716 ' HG ' ' H ' ' A' ' 47' ' ' TYR . 12.6 t -88.78 167.06 13.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.999 -1.063 . . . . 0.0 109.389 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' N ' ' HG ' ' A' ' 45' ' ' SER . 54.6 tttp -81.57 -10.85 59.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.309 -0.869 . . . . 0.0 109.406 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.716 ' H ' ' HG ' ' A' ' 45' ' ' SER . 72.2 m-85 -97.03 138.21 34.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 18.4 p-10 -70.97 -48.6 52.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.872 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.44 -27.55 10.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.048 -1.033 . . . . 0.0 110.188 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.41 -29.68 70.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.076 -1.015 . . . . 0.0 108.638 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.78 -41.84 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 108.871 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.74 -26.07 31.74 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -87.49 -45.88 10.1 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.859 . . . . 0.0 108.788 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.34 -31.1 72.81 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.64 -43.47 54.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.213 -1.169 . . . . 0.0 108.802 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.79 -46.54 88.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.5 mt -49.44 -45.77 46.94 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.727 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.52 -42.0 68.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.943 -1.098 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -53.7 -35.19 60.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.052 -1.03 . . . . 0.0 110.056 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -73.82 -35.31 64.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.997 . . . . 0.0 110.359 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.93 -29.32 55.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.144 -0.973 . . . . 0.0 110.938 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 mp -51.11 -55.81 25.18 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 120.816 -1.178 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.2 Cg_exo -53.03 -27.17 35.08 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 120.514 0.809 . . . . 0.0 110.319 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -99.14 29.87 3.7 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.171 -0.956 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.38 152.7 19.25 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 40.7 t -70.1 -171.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -1.149 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -74.25 -39.15 63.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.977 -1.077 . . . . 0.0 109.438 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -71.32 -45.98 61.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.312 -0.868 . . . . 0.0 108.79 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.46 -34.69 71.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.461 -0.775 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 66' ' ' SER . 37.6 mt-30 -66.36 -45.73 79.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.92 . . . . 0.0 109.382 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' CG ' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -52.92 -29.89 31.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.168 -0.958 . . . . 0.0 109.261 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.51 -52.75 8.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.94 -1.1 . . . . 0.0 109.567 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.3 m-85 -60.58 -32.74 71.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 108.768 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 t -60.62 -39.5 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.48 -45.92 87.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.768 -0.582 . . . . 0.0 110.327 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -67.72 -37.27 81.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.756 -1.215 . . . . 0.0 110.056 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.91 -44.98 96.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.127 -0.983 . . . . 0.0 109.594 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.24 69.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 109.256 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.68 -40.24 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.885 . . . . 0.0 109.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.93 -40.45 89.07 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.547 ' N ' HD21 ' A' ' 81' ' ' ASN . 0.9 OUTLIER -69.52 -27.22 64.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -1.125 . . . . 0.0 109.572 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.4 t80 -70.65 -30.11 66.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.295 -0.878 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.544 ' C ' ' H ' ' A' ' 85' ' ' LYS . 46.9 mtp180 -72.69 -43.96 62.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.137 -0.977 . . . . 0.0 109.961 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.3 mt -71.42 30.33 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.544 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.0 mmtm 55.06 4.75 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 84' ' ' LEU . 18.4 tp10 -80.71 90.05 5.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 108.985 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -84.54 -36.56 22.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 0.0 110.054 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.22 -51.23 70.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 110.151 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -69.51 -39.56 77.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.076 -1.015 . . . . 0.0 109.73 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.5 89.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.999 -1.063 . . . . 0.0 109.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.61 -19.66 62.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.255 -0.903 . . . . 0.0 109.09 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -75.1 -36.84 61.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.872 -1.143 . . . . 0.0 108.273 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -75.65 -40.03 56.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.716 . . . . 0.0 109.468 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.47 -31.75 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 0.0 110.942 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -72.26 -48.81 39.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.531 -1.356 . . . . 0.0 110.133 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.52 -28.97 73.62 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 12.5 tp -57.42 -44.01 84.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.637 -0.919 . . . . 0.0 108.696 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.55 -36.19 68.2 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.931 -1.106 . . . . 0.0 110.31 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -49.56 -30.65 8.92 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 74.2 p -77.59 -48.21 17.46 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.744 0.783 . . . . 0.0 108.91 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -134.63 78.48 55.84 Favored Pre-proline 0 N--CA 1.496 1.854 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -58.1 -13.96 17.49 Favored 'Trans proline' 0 C--N 1.318 -1.079 0 C-N-CA 121.203 1.269 . . . . 0.0 109.671 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -83.36 1.2 42.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 109.792 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -79.63 105.4 10.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.22 -37.71 63.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 0.0 109.888 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -56.92 -30.4 63.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.723 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.39 -29.58 47.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.01 -50.91 20.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.778 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.83 -32.44 67.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.317 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.03 -42.01 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.123 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.51 -29.27 70.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.81 -43.02 94.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.185 -0.947 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.33 -43.64 83.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.047 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.41 -50.17 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.433 -0.792 . . . . 0.0 109.599 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.58 -46.17 73.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.91 -43.84 81.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.129 -0.982 . . . . 0.0 109.805 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 121' ' ' ASP . . . -57.46 -49.36 76.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.516 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.64 -47.11 20.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.473 -0.767 . . . . 0.0 110.389 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 3.5 mptp? -72.23 -56.77 4.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.549 -1.345 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' A' ' 122' ' ' GLY . 43.2 mttm -67.76 7.68 0.48 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.138 -0.976 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.491 ' H ' ' C ' ' A' ' 119' ' ' LYS . 29.4 t70 -64.59 2.41 0.66 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.212 -0.93 . . . . 0.0 109.456 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 127.43 -27.51 4.71 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.07 113.45 9.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.493 ' O ' ' SD ' ' A' ' 126' ' ' MET . 21.8 t -88.52 149.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.322 -0.861 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -72.39 96.67 0.73 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 124' ' ' VAL . 2.5 mpt? -60.33 162.41 6.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -1.127 . . . . 0.0 109.1 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.36 130.09 44.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.108 -0.995 . . . . 0.0 109.472 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.1 tt -150.51 16.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 122.766 1.27 . . . . 0.0 108.63 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.45 83.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.537 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 50.9 38.18 37.3 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.99 -147.75 0.07 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 132' ' ' MET . 4.5 mpp? -67.58 164.91 18.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -1.153 . . . . 0.0 109.459 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -169.9 124.69 0.78 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 109.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.34 131.47 42.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.463 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 137' ' ' ALA . . . -68.59 81.36 0.22 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.59 34.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -1.135 . . . . 0.0 109.344 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 135' ' ' GLY . . . -170.96 55.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.33 -0.856 . . . . 0.0 109.451 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -79.2 28.36 2.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -72.77 51.12 0.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -1.142 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.16 -21.01 64.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.224 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 67.23 65.89 2.58 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.1 mt -132.78 -79.27 0.49 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.504 -0.998 . . . . 0.0 109.124 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 1.1 pp -149.87 22.35 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 109.051 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 146' ' ' GLU . . . 72.86 115.43 0.06 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.29 7.57 1.7 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.293 -1.122 . . . . 0.0 109.185 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 144' ' ' GLY . 12.5 pt-20 -172.07 0.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.42 -0.8 . . . . 0.0 109.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 148' ' ' HIS . 70.6 m80 52.56 -111.17 0.57 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.439 -0.788 . . . . 0.0 109.572 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.54 ' HD1' ' H ' ' A' ' 149' ' ' HIS . 1.3 t60 58.18 157.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.54 ' H ' ' HD1' ' A' ' 148' ' ' HIS . 0.9 OUTLIER -171.7 -81.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 109.492 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -168.96 110.49 0.5 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.232 -0.917 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.618 ' NE2' ' CD2' ' A' ' 152' ' ' HIS . 40.5 p-80 -64.07 -44.61 91.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.708 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.618 ' CD2' ' NE2' ' A' ' 151' ' ' HIS . 88.5 m-70 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.579 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -53.43 168.89 0.14 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 0.0 109.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.9 154.21 3.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.548 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t 48.46 81.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.883 . . . . 0.0 109.693 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.92 63.97 7.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 109.22 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 49.51 26.93 1.86 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.411 -0.806 . . . . 0.0 109.64 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -166.39 50.83 0.08 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.156 -0.965 . . . . 0.0 109.609 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.8 mt 46.19 -115.15 0.54 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 0.0 109.873 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -63.01 153.62 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 109.32 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 133.41 35.45 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.365 -0.834 . . . . 0.0 109.221 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.41 -23.19 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.286 -0.884 . . . . 0.0 108.763 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 45.8 mt-10 -70.01 -37.73 75.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.228 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 7.0 t70 -76.74 -49.44 15.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.719 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.92 -47.21 81.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.877 -1.139 . . . . 0.0 110.186 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.64 -40.53 48.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.99 -1.069 . . . . 0.0 110.329 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 33.4 ttpt -50.86 -53.39 32.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.762 -1.211 . . . . 0.0 108.92 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -65.19 -28.45 69.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.063 -1.023 . . . . 0.0 108.65 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.67 -35.2 65.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 0.0 108.574 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -54.29 -41.05 68.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -65.36 -42.2 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.314 -0.866 . . . . 0.0 108.876 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -51.06 -44.4 61.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.463 -0.773 . . . . 0.0 109.404 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -72.8 -51.43 19.0 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.216 -0.927 . . . . 0.0 110.096 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -64.31 -38.32 90.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.776 -1.202 . . . . 0.0 109.787 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 48.7 mm-40 -61.48 -50.76 71.46 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.995 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -64.15 -34.35 77.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.96 -1.088 . . . . 0.0 108.582 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.08 78.98 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 -16.3 45.87 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.74 15.04 54.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 70.2 m -153.57 156.53 38.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.285 -1.127 . . . . 0.0 109.976 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -138.17 123.69 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.426 -0.797 . . . . 0.0 109.473 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -79.65 142.25 35.73 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.492 -0.755 . . . . 0.0 109.467 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -56.78 -19.24 16.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.186 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 96.3 p -66.23 -45.24 81.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 110.28 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -64.42 -49.43 71.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.959 -1.088 . . . . 0.0 110.162 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -55.59 -50.77 69.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.951 -1.093 . . . . 0.0 109.638 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.62 -49.04 78.93 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.396 -0.815 . . . . 0.0 110.765 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -70.64 -30.76 67.47 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.127 -0.983 . . . . 0.0 110.76 -178.554 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -84.7 -22.63 29.69 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 109.995 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.13 16.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.095 -1.003 . . . . 0.0 110.206 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -59.22 -34.67 72.46 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.553 -1.342 . . . . 0.0 108.204 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -57.93 -40.31 80.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.211 -0.931 . . . . 0.0 110.819 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.27 -57.1 4.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.837 -1.164 . . . . 0.0 111.202 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.45 -16.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.087 -1.008 . . . . 0.0 110.558 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -93.07 25.68 3.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.815 -1.178 . . . . 0.0 109.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -119.05 163.15 17.41 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -85.44 -5.95 59.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.208 -0.932 . . . . 0.0 110.686 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 3.3 m-85 -80.78 110.53 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.782 -1.199 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.664 HD22 ' NE ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -49.34 -48.5 46.54 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.924 -1.11 . . . . 0.0 110.1 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 2.6 p30 -50.68 -31.9 17.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.044 . . . . 0.0 111.187 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 51' ' ' ILE . 1.9 p30 -73.92 -31.62 63.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.712 -1.243 . . . . 0.0 109.655 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 7.0 mt -76.2 -50.32 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.133 -0.979 . . . . 0.0 109.66 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.664 ' NE ' HD22 ' A' ' 48' ' ' ASN . 3.3 mtt-85 -53.56 -54.97 29.83 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -64.43 -35.09 79.78 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.87 -38.14 88.92 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.55 -38.57 81.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 120.826 -1.396 . . . . 0.0 109.128 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.24 -45.03 96.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 mt -50.34 -46.17 55.49 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.702 -0.624 . . . . 0.0 109.578 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.93 -47.08 63.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -53.79 -44.79 70.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.159 -0.963 . . . . 0.0 110.104 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -61.08 -31.56 71.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.152 -0.968 . . . . 0.0 110.032 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.57 -28.91 56.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.928 . . . . 0.0 111.584 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.54 -54.48 38.85 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.785 -1.197 . . . . 0.0 111.359 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.8 Cg_exo -53.47 -21.03 17.25 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 120.412 0.741 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -114.73 12.07 16.99 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.362 -0.836 . . . . 0.0 110.56 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.54 149.59 19.43 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 69' ' ' GLU . 5.2 m -68.47 -167.61 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.942 -1.328 . . . . 0.0 108.524 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.59 -47.0 28.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.642 -1.286 . . . . 0.0 109.075 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 20.1 mp0 -64.46 -35.92 82.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 109.358 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 66' ' ' SER . 50.3 mt-10 -66.79 -34.18 77.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -59.41 -45.58 91.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 108.948 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -61.6 -29.01 69.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.0 108.425 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.6 m-20 -78.79 -47.5 16.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.837 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.7 m-85 -53.02 -42.65 65.87 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -36.0 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 109.002 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -59.39 -50.21 74.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.45 -0.781 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.88 -39.56 79.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.772 -1.205 . . . . 0.0 109.963 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -59.37 -38.75 81.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.869 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.08 70.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.017 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' CG1' ' NH2' ' A' ' 83' ' ' ARG . 95.7 t -76.05 -45.2 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.277 -0.89 . . . . 0.0 109.782 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.81 -40.49 93.73 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 81' ' ' ASN . 1.2 m-80 -69.26 -28.6 66.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -1.128 . . . . 0.0 109.751 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -69.76 -30.18 67.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 85' ' ' LYS . 4.0 mtt-85 -71.93 -43.07 65.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.246 -0.909 . . . . 0.0 109.712 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' C ' ' H ' ' A' ' 86' ' ' GLU . 61.3 mt -65.65 17.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.115 -0.991 . . . . 0.0 110.567 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 83' ' ' ARG . 18.6 tptt 68.46 -5.49 0.93 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.864 -1.148 . . . . 0.0 109.291 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 84' ' ' LEU . 14.5 mm-40 -75.28 95.04 3.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.227 -0.921 . . . . 0.0 109.664 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -85.31 -31.67 22.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.488 -0.758 . . . . 0.0 109.674 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.42 -41.84 93.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.18 -0.95 . . . . 0.0 109.953 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' N ' ' CD ' ' A' ' 89' ' ' LYS . 12.1 mptt -76.53 -47.29 23.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.91 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.27 69.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.109 -0.995 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.3 mp -57.15 -54.6 44.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.771 -1.206 . . . . 0.0 108.138 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -45.07 -33.41 2.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.639 -0.663 . . . . 0.0 109.319 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -76.9 -47.3 21.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 108.833 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.58 -28.95 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -64.67 -47.39 78.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.59 -1.319 . . . . 0.0 108.756 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.96 -27.6 73.63 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 41.9 tp -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.293 -1.122 . . . . 0.0 108.874 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -76.7 -35.43 57.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.84 -1.162 . . . . 0.0 109.623 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.14 -27.91 16.04 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 30.0 p -88.96 -45.99 9.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.61 0.719 . . . . 0.0 109.149 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -132.71 77.34 69.35 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.933 -0.479 . . . . 0.0 109.973 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.18 -17.77 60.97 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.257 1.305 . . . . 0.0 109.545 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -81.53 -3.2 52.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.298 -0.876 . . . . 0.0 109.706 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -76.03 105.36 7.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.09 -1.006 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -73.45 -38.94 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.64 -34.68 67.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.58 74.7 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 109.282 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.04 -36.44 77.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.225 -0.922 . . . . 0.0 109.078 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -53.95 52.34 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.916 0.865 . . . . 0.0 108.997 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 25.9 tp -51.11 -39.58 56.5 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 115' ' ' ASP . 6.4 tm-20 -63.86 -30.78 71.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.0 109.446 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -72.13 -43.63 64.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.186 -0.946 . . . . 0.0 109.61 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.66 -47.08 83.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 109.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.94 -52.46 34.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.61 -0.681 . . . . 0.0 109.679 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -57.33 -45.22 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.0 109.822 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.85 -35.24 63.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.181 -0.949 . . . . 0.0 109.716 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.33 59.78 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtp -49.51 -48.57 47.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.635 -0.665 . . . . 0.0 110.829 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.5 mptm? -66.73 -30.03 70.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.453 -1.404 . . . . 0.0 109.396 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -60.01 4.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -81.79 59.6 4.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.613 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 124' ' ' VAL . . . -76.11 85.45 0.9 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.84 26.36 0.41 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -1.118 . . . . 0.0 109.231 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.49 ' H ' ' C ' ' A' ' 122' ' ' GLY . 39.6 t -149.94 154.4 9.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.52 -22.75 17.45 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.8 mmt 46.45 -124.98 1.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.254 -1.145 . . . . 0.0 109.159 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.69 130.31 35.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 108.885 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.4 mt -100.11 145.82 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.401 -0.812 . . . . 0.0 109.353 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.9 t -147.12 90.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.352 -0.843 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 179.02 -69.83 0.07 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.15 -145.81 0.06 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.1 mtt 52.59 -157.73 0.14 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -1.119 . . . . 0.0 109.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -169.32 160.86 9.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.8 mt -132.63 79.49 1.85 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.439 -0.788 . . . . 0.0 109.218 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -69.98 86.64 0.3 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.3 t -67.9 65.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -1.138 . . . . 0.0 109.559 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -76.31 -76.54 0.16 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -0.922 . . . . 0.0 109.331 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -31.99 1.29 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 137' ' ' ALA . 14.6 mt -78.91 -138.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -1.15 . . . . 0.0 109.438 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -89.48 -59.21 2.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.264 -0.898 . . . . 0.0 109.418 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 77.21 -94.67 1.14 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.4 mt 56.14 52.03 10.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -1.169 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 4.4 tp -165.12 -18.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.293 -0.879 . . . . 0.0 109.14 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 146' ' ' GLU . . . 64.38 168.52 1.58 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 13.9 mt -74.95 15.97 0.34 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -1.153 . . . . 0.0 109.53 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 148' ' ' HIS . 12.2 mm-40 52.11 27.03 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 149' ' ' HIS . 0.3 OUTLIER -73.18 13.45 0.42 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.25 -0.907 . . . . 0.0 109.434 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 19.7 t-160 -66.12 73.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 109.396 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 148' ' ' HIS . 78.9 m80 -157.4 -172.19 3.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -169.12 85.61 0.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.234 -0.917 . . . . 0.0 109.499 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 11.9 t-80 -169.24 109.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.531 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 97.0 m-70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.417 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' H3 ' ' H ' ' A' ' 2' ' ' GLU . 48.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 59.8 mt-10 -153.01 -16.0 0.15 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.28 -0.887 . . . . 0.0 109.303 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.25 151.11 2.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.379 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 t -94.29 89.63 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.248 -0.907 . . . . 0.0 109.523 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -83.6 48.98 1.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.907 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -156.57 154.2 29.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.392 -0.817 . . . . 0.0 109.454 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' CD ' ' N ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -67.1 -177.09 0.6 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 0.0 109.612 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.31 -114.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 109.387 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t -70.71 124.61 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -0.971 . . . . 0.0 109.538 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -68.43 135.11 51.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.21 -0.932 . . . . 0.0 109.082 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.84 -23.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -0.891 . . . . 0.0 108.759 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 44.9 mt-10 -69.61 -44.93 69.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.372 -0.83 . . . . 0.0 109.088 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.08 -48.31 71.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 110.494 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.08 90.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.954 -1.091 . . . . 0.0 110.002 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.0 mt -76.71 -37.5 55.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.86 -1.15 . . . . 0.0 109.871 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.8 ttpt -52.52 -53.31 47.75 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.795 -1.191 . . . . 0.0 108.599 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.9 m-85 -65.53 -28.27 69.05 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.702 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -71.77 -36.19 70.28 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -55.25 -41.96 72.84 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.74 -42.19 67.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE2' ' CE ' ' A' ' 25' ' ' LYS . 38.7 t80 -52.41 -48.35 65.76 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.65 -49.93 35.34 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 p -58.97 -39.04 80.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.839 -1.163 . . . . 0.0 109.589 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' OE2' ' OG1' ' A' ' 34' ' ' THR . 38.5 mt-10 -58.81 -50.84 72.47 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 110.371 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' CE ' ' CE2' ' A' ' 21' ' ' PHE . 8.0 mttt -57.05 -37.53 71.92 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.593 -1.317 . . . . 0.0 108.567 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.53 79.32 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.94 56.48 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -156.83 153.53 28.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.29 -1.123 . . . . 0.0 110.027 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.21 125.37 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.479 -0.763 . . . . 0.0 109.295 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -80.44 141.78 34.93 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.438 -0.789 . . . . 0.0 109.544 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -57.11 -18.71 15.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.443 -0.786 . . . . 0.0 109.153 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 53.6 m -64.43 -48.09 76.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 0.0 110.212 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' OE2' ' A' ' 24' ' ' GLU . 6.7 m -64.29 -48.93 73.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 110.017 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -51.97 -49.77 62.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.131 . . . . 0.0 109.033 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -59.7 -48.99 79.49 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.47 -0.769 . . . . 0.0 110.666 -179.578 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.4 OUTLIER -70.93 -29.87 66.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -83.46 -26.78 29.99 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.227 -0.921 . . . . 0.0 110.285 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.91 -51.51 18.29 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.927 -1.108 . . . . 0.0 110.331 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 13.7 p-90 -57.81 -33.99 69.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.389 -1.444 . . . . 0.0 108.001 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 88.1 m -57.38 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 109.676 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 mt -79.76 -58.56 3.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.969 -1.082 . . . . 0.0 111.942 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 2.8 m -54.56 -17.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.682 -1.261 . . . . 0.0 109.681 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -93.27 16.04 14.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.947 -1.096 . . . . 0.0 109.128 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' NH2' ' A' ' 83' ' ' ARG . 6.7 p -101.24 167.91 9.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 109.56 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -90.95 -3.87 56.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.645 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.57 136.11 33.92 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.121 -0.987 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.72 -50.38 36.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.037 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -51.25 -27.73 9.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.059 -1.025 . . . . 0.0 110.387 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.89 -29.95 62.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.078 . . . . 0.0 109.574 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mt -78.02 -48.84 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.91 -1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -54.17 -55.49 27.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.13 -36.82 82.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -36.62 93.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.49 -40.79 80.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.963 -1.316 . . . . 0.0 109.105 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.83 -45.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -49.74 -50.04 45.78 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.837 -0.539 . . . . 0.0 109.707 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.19 -45.8 72.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 109.778 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.7 -48.9 74.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 109.968 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -54.94 -32.13 61.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.0 110.158 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.91 -27.93 55.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.181 -0.949 . . . . 0.0 111.633 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.83 -54.1 43.92 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.75 -1.219 . . . . 0.0 111.467 -177.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -56.5 -25.57 59.01 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.458 0.772 . . . . 0.0 110.217 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -103.45 1.05 31.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.189 -0.944 . . . . 0.0 110.501 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.79 151.01 20.97 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.608 ' HG ' ' H ' ' A' ' 67' ' ' LYS . 8.6 t -67.39 -168.14 0.08 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -1.23 . . . . 0.0 108.567 179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.608 ' H ' ' HG ' ' A' ' 66' ' ' SER . 66.3 mttm -76.09 -47.12 25.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.678 -1.264 . . . . 0.0 109.179 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.12 -49.85 76.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.201 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -57.63 -30.37 65.31 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -55.58 -44.45 76.9 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.09 -29.86 70.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.508 -0.745 . . . . 0.0 109.369 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -74.64 -48.28 27.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 36.8 m-85 -53.03 -38.74 62.66 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.96 -36.01 71.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.489 -0.757 . . . . 0.0 108.984 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -61.84 -50.76 70.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.586 -0.696 . . . . 0.0 110.453 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -68.33 -37.75 80.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.815 -1.178 . . . . 0.0 110.096 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.13 -45.56 92.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.08 -1.012 . . . . 0.0 110.251 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.47 71.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.958 -1.089 . . . . 0.0 109.202 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.35 -39.24 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.236 -0.915 . . . . 0.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.95 -43.55 57.63 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.57 -30.22 61.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.012 -1.287 . . . . 0.0 109.521 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.3 -45.87 90.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 109.404 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 85' ' ' LYS . 12.3 ptm180 -75.07 -37.14 61.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.048 -1.032 . . . . 0.0 110.247 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -64.4 35.66 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -178.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.577 ' H ' ' C ' ' A' ' 83' ' ' ARG . 73.8 tttt 65.56 -41.13 0.32 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 110.133 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' LEU . 7.6 mm-40 -53.01 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.99 -1.069 . . . . 0.0 108.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.9 m-85 -84.98 -40.94 16.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.732 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -70.57 -41.27 72.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -0.911 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 37.4 mttp -54.35 -48.98 70.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.825 -1.172 . . . . 0.0 109.271 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.34 66.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.136 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 95' ' ' ARG . 13.9 tp -70.34 -24.64 63.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.459 -0.775 . . . . 0.0 109.213 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.98 -34.01 44.56 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.21 -48.43 29.03 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.677 -0.639 . . . . 0.0 109.408 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.04 -29.75 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.388 -0.82 . . . . 0.0 109.843 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 15.7 mmm180 -70.82 -48.11 55.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.964 -1.085 . . . . 0.0 109.934 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.99 -28.06 73.36 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.8 tp -59.63 -39.35 84.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.718 -0.872 . . . . 0.0 108.792 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.0 -37.6 54.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.92 -1.113 . . . . 0.0 109.887 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.31 -26.24 7.18 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.0 p -89.49 -43.94 10.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 103' ' ' GLN . 58.9 mm-40 -130.67 76.19 77.7 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 122.037 -0.414 . . . . 0.0 110.38 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.64 42.67 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.473 1.449 . . . . 0.0 109.484 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' A' ' 101' ' ' GLU . 36.7 mt-30 -141.4 -7.45 1.01 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.288 -0.882 . . . . 0.0 109.721 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -75.36 99.66 4.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.592 ' H ' HD21 ' A' ' 105' ' ' ASN . 1.8 m-80 -61.86 -40.82 96.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.885 . . . . 0.0 109.811 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.68 -28.95 61.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.36 -32.01 48.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.16 -50.38 22.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.317 -0.864 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.73 -30.11 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.18 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.12 -43.49 98.25 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.21 -0.931 . . . . 0.0 108.76 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -53.06 -43.25 66.54 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.112 -0.992 . . . . 0.0 108.729 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.11 -51.8 63.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.56 -52.83 63.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.335 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 114' ' ' ILE . 74.5 mt -57.95 -49.8 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 0.0 110.009 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.37 -39.4 78.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 110.642 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.4 -43.13 91.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.993 -1.067 . . . . 0.0 110.795 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.27 70.15 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.623 -1.298 . . . . 0.0 108.736 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.1 mtm -49.21 -46.81 46.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 110.162 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.34 -15.53 61.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.619 -1.301 . . . . 0.0 109.117 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -99.41 25.79 6.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.402 -0.811 . . . . 0.0 109.364 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -171.64 6.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.988 . . . . 0.0 109.574 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.08 99.63 2.42 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.23 110.97 6.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -1.167 . . . . 0.0 109.504 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 t -101.93 160.36 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.551 -0.718 . . . . 0.0 109.113 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 126' ' ' MET . . . -68.85 108.13 2.35 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 125' ' ' GLY . 49.3 mtt -55.66 -168.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -1.119 . . . . 0.0 109.247 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 129.32 18.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 109.441 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 128' ' ' ILE . 3.4 mm -147.83 9.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 122.982 1.372 . . . . 0.0 107.879 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.484 ' CG2' ' H ' ' A' ' 133' ' ' ALA . 4.7 m -84.09 58.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.562 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 56.01 42.32 86.7 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.97 70.8 1.1 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 133' ' ' ALA . 27.2 ttt 51.55 83.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -1.149 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.484 ' H ' ' CG2' ' A' ' 129' ' ' VAL . . . 58.4 158.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.353 -0.842 . . . . 0.0 109.655 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 134' ' ' LEU . 0.8 OUTLIER -60.28 150.88 29.01 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.257 -0.902 . . . . 0.0 109.445 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.46 144.99 28.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.26 -19.77 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -1.14 . . . . 0.0 109.365 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.2 21.38 0.18 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.857 . . . . 0.0 109.609 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.22 -47.28 1.96 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' ALA . 14.3 mt -70.98 -133.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.288 -1.124 . . . . 0.0 109.402 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' LEU . . . 40.15 -133.25 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.583 -0.698 . . . . 0.0 110.579 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.38 35.61 32.82 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.66 -144.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 14.5 pt -54.52 -28.85 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.919 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 92.94 -32.47 5.61 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.3 mp -84.97 99.55 11.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -1.132 . . . . 0.0 109.184 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 147' ' ' HIS . 36.4 tt0 51.69 88.36 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.286 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 146' ' ' GLU . 41.5 m170 -55.58 -104.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.898 . . . . 0.0 109.562 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -76.09 -168.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.515 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -168.71 -30.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.0 109.479 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.627 ' N ' ' HD1' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -170.61 -18.52 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.408 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 151' ' ' HIS . 1.8 t60 -66.68 0.98 1.98 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.263 -0.898 . . . . 0.0 109.448 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' A' ' 150' ' ' HIS . 26.8 t-80 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.97 -1.015 . . . . 0.0 109.455 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 ptm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 54.4 75.63 0.28 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.547 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.42 -160.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.531 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.8 108.37 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.385 -0.822 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -82.4 -165.12 0.95 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.409 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -143.33 136.69 28.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 109.328 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -65.55 157.73 28.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.513 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -74.84 -35.57 62.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.555 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -149.88 133.57 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.397 -0.815 . . . . 0.0 109.507 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -72.29 133.88 45.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.199 -0.938 . . . . 0.0 108.909 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -48.46 -24.22 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.131 -0.981 . . . . 0.0 109.009 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.6 mm-40 -69.91 -45.25 67.96 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.308 -0.87 . . . . 0.0 109.739 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.89 97.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 0.0 111.053 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.09 -41.39 61.75 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.764 -1.21 . . . . 0.0 110.136 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.05 -38.6 44.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.657 -1.277 . . . . 0.0 109.585 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tmmm? -52.45 -46.71 66.58 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 108.929 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.54 -26.99 58.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.559 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -54.59 -46.33 73.76 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 26.7 mttp -60.23 -48.36 82.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.44 -39.68 64.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -51.32 19.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.186 -0.946 . . . . 0.0 110.388 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 m -63.23 -42.27 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.685 -1.26 . . . . 0.0 110.154 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -57.04 -48.1 79.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.175 -0.953 . . . . 0.0 109.863 -179.093 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.27 -34.57 77.96 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.841 -1.162 . . . . 0.0 108.895 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.69 78.64 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -14.92 24.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.39 16.39 55.46 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 60.0 m -154.63 157.62 38.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -1.107 . . . . 0.0 109.867 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.23 123.86 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 109.652 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -75.26 152.08 38.31 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.614 0.721 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -63.9 -18.29 64.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.593 -0.692 . . . . 0.0 109.784 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 34' ' ' THR . 94.2 p -68.55 -48.59 63.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 110.112 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.484 ' H ' ' HG ' ' A' ' 33' ' ' SER . 7.3 m -64.27 -43.61 94.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.172 -0.955 . . . . 0.0 109.926 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.05 -39.67 82.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.091 -1.006 . . . . 0.0 110.179 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 1.7 m-85 -69.43 -50.9 41.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.086 -1.009 . . . . 0.0 110.647 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -72.26 -16.29 61.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.892 -1.13 . . . . 0.0 110.045 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -79.66 -32.23 41.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.182 -0.949 . . . . 0.0 108.984 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.29 -37.3 69.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.263 -0.898 . . . . 0.0 108.837 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.95 -52.55 63.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 108.247 179.52 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.7 -39.37 65.11 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.442 -0.786 . . . . 0.0 109.99 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -78.45 -41.04 33.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.094 -1.004 . . . . 0.0 110.526 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -52.93 -20.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.078 -1.013 . . . . 0.0 109.44 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -120.49 33.28 5.65 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t -87.74 174.01 8.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.084 -1.01 . . . . 0.0 109.488 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' N ' ' OG ' ' A' ' 45' ' ' SER . 46.1 mtpt -85.71 -10.98 54.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.352 -0.843 . . . . 0.0 109.44 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.2 140.54 34.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.878 . . . . 0.0 109.425 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' C ' HD21 ' A' ' 48' ' ' ASN . 0.3 OUTLIER -71.33 -49.0 46.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.224 -0.922 . . . . 0.0 109.795 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.41 -26.23 7.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.049 -1.032 . . . . 0.0 110.221 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.6 -31.34 71.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 0.0 108.896 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -79.05 -44.64 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.005 -1.059 . . . . 0.0 108.945 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.48 -31.09 55.09 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -82.02 -44.3 16.83 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.73 94.89 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -41.98 90.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 O-C-N 120.957 -1.319 . . . . 0.0 109.105 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.93 -47.81 91.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.7 mt -49.53 -45.24 47.12 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.873 -0.517 . . . . 0.0 109.707 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.23 -45.77 54.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.958 -1.089 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -51.94 -43.51 63.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.146 -0.971 . . . . 0.0 110.213 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.152 -0.968 . . . . 0.0 110.51 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.7 -29.45 56.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.002 -1.062 . . . . 0.0 111.324 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -50.78 -55.15 29.37 Favored Pre-proline 0 N--CA 1.486 1.359 0 O-C-N 120.664 -1.273 . . . . 0.0 111.077 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -54.51 -26.56 45.74 Favored 'Trans proline' 0 C--N 1.322 -0.853 0 N-CA-C 110.004 -0.806 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -97.37 37.19 1.37 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.252 -0.905 . . . . 0.0 109.576 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.88 26.06 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -75.95 -170.27 1.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.17 -39.47 63.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 2.2 tm-20 -72.59 -46.5 53.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.588 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -56.3 -29.81 61.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -73.6 -38.2 65.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.3 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.583 ' CG ' HH11 ' A' ' 71' ' ' ARG . 3.0 mtt-85 -52.47 -37.44 57.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.181 -0.949 . . . . 0.0 109.796 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -76.15 -51.63 11.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.991 -1.068 . . . . 0.0 109.863 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.521 ' CE1' ' OD2' ' A' ' 72' ' ' ASP . 2.7 m-85 -55.95 -39.0 71.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.886 -1.134 . . . . 0.0 109.399 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.43 -36.43 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 108.732 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -58.5 -45.53 88.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.613 -0.68 . . . . 0.0 110.227 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -71.04 -35.98 72.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.857 -1.152 . . . . 0.0 110.106 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.28 -44.95 94.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.614 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.84 -34.08 75.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.083 -1.011 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.73 -37.87 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.46 -43.41 53.66 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.03 -28.51 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.23 -1.159 . . . . 0.0 109.471 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.8 t80 -70.44 -30.37 67.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.009 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.574 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -69.58 -41.45 75.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.543 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -71.51 33.66 0.05 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' A' ' 83' ' ' ARG . 50.9 mtpt 51.62 8.16 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.866 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 84' ' ' LEU . 11.3 tp10 -84.94 96.09 9.25 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.12 -0.988 . . . . 0.0 109.092 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -85.77 -36.22 20.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.27 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 19.1 mp0 -64.25 -38.92 92.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 110.14 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.64 -49.1 17.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.294 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.38 69.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.4 mp -54.89 -52.81 61.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 108.777 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -44.85 -35.83 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 109.467 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.93 -48.44 21.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 109.08 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -30.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -0.853 . . . . 0.0 109.788 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.465 ' NH1' ' CD ' ' A' ' 111' ' ' GLU . 3.1 mpt_? -60.72 -48.08 83.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.496 -1.378 . . . . 0.0 108.577 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.88 -28.92 73.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.499 ' O ' ' OG1' ' A' ' 100' ' ' THR . 63.8 tp -63.02 -35.72 81.15 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.168 -1.195 . . . . 0.0 109.084 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.74 -28.04 55.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.856 -1.153 . . . . 0.0 109.769 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -27.98 65.73 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 62.0 p -87.16 -51.18 6.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.622 -0.674 . . . . 0.0 109.672 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -132.11 77.85 70.35 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.77 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -63.48 -20.49 69.89 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.396 1.397 . . . . 0.0 110.443 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -85.23 2.93 41.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.043 -1.036 . . . . 0.0 109.714 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -73.58 111.89 9.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.139 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -70.79 -39.67 72.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.802 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -56.23 -49.04 75.26 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.172 -0.955 . . . . 0.0 109.443 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.18 82.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 0.0 109.348 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -58.4 -39.73 80.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.247 -0.908 . . . . 0.0 108.999 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.41 -51.61 69.16 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.349 -0.844 . . . . 0.0 109.199 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.72 -42.99 62.68 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.497 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' NH1' ' A' ' 95' ' ' ARG . 34.9 tt0 -61.35 -37.23 82.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -60.72 -47.26 87.09 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.314 -0.866 . . . . 0.0 109.726 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -57.64 -43.83 85.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 52.1 mt -70.99 -52.0 31.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.368 -0.832 . . . . 0.0 109.451 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.88 -45.49 74.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.358 -0.839 . . . . 0.0 109.657 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -55.55 -51.9 65.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.085 -1.009 . . . . 0.0 109.409 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.98 78.1 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 69.2 mtp -50.31 -47.52 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.686 . . . . 0.0 110.764 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.91 -23.26 52.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.588 -1.32 . . . . 0.0 109.721 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -70.23 -76.22 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 121' ' ' ASP . 0.5 OUTLIER -85.54 43.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.233 -0.917 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -145.88 86.55 0.17 Allowed Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.78 130.14 34.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 109.39 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 43.5 t -147.93 159.2 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.422 -0.799 . . . . 0.0 109.258 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.91 52.99 2.31 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.8 mmt -60.0 -100.82 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.128 -1.219 . . . . 0.0 108.738 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.62 133.92 42.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.192 -0.942 . . . . 0.0 108.705 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 93.9 mt -129.93 160.37 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.492 -0.755 . . . . 0.0 109.208 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 43.0 t -147.94 -40.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.228 -0.92 . . . . 0.0 109.38 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.73 -67.52 1.99 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.77 164.79 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.0 mpt? -72.48 132.23 43.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -1.157 . . . . 0.0 109.414 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.28 23.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.192 0.996 . . . . 0.0 109.378 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 132' ' ' MET . 24.4 mt -100.41 132.91 45.53 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.265 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' A' ' 137' ' ' ALA . . . 176.73 160.92 24.66 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.12 18.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -1.158 . . . . 0.0 109.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 135' ' ' GLY . . . -170.45 173.53 5.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.516 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 85.66 -64.6 4.09 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 3.1 mm? 43.95 -89.78 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.548 -0.972 . . . . 0.0 109.989 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 138' ' ' GLY . . . -130.46 -148.92 0.38 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.55 -0.719 . . . . 0.0 109.267 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 143' ' ' ILE . . . -165.19 50.09 0.28 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 142' ' ' LEU . 3.4 mm? -78.02 17.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -1.177 . . . . 0.0 109.092 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 145' ' ' LEU . 10.9 tp -169.98 -10.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.262 -0.899 . . . . 0.0 109.074 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -67.06 49.38 0.24 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' ILE . 18.9 mt -82.65 104.21 12.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -1.175 . . . . 0.0 109.191 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 65.8 mm-40 -47.51 -75.84 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.733 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.526 ' O ' ' ND1' ' A' ' 148' ' ' HIS . 75.5 m-70 -159.18 139.46 12.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.461 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 147' ' ' HIS . 43.3 m80 -149.9 -29.81 0.23 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.218 -0.926 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -67.76 74.5 0.18 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.657 ' CG ' ' H ' ' A' ' 151' ' ' HIS . 11.2 p-80 -56.34 -69.42 0.15 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.0 109.486 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.657 ' H ' ' CG ' ' A' ' 150' ' ' HIS . 5.6 t60 -170.22 31.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.226 -0.921 . . . . 0.0 109.474 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.507 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.57 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -152.95 148.91 27.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.237 -0.914 . . . . 0.0 109.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.9 -178.89 0.35 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.242 -0.911 . . . . 0.0 109.468 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.6 p -169.25 39.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.922 . . . . 0.0 109.134 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt 50.2 -162.17 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.132 -0.98 . . . . 0.0 109.452 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 7' ' ' GLU . 72.0 m-80 -157.53 122.31 4.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.641 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 6' ' ' ASN . 47.4 tt0 58.67 127.75 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.56 0.695 . . . . 0.0 110.394 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 9' ' ' VAL . 1.6 mp -53.08 108.84 0.36 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.16 -0.963 . . . . 0.0 108.888 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' LEU . 4.7 t 58.77 119.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.482 -0.761 . . . . 0.0 110.354 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -69.04 138.55 54.53 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.261 -0.9 . . . . 0.0 108.689 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.76 -24.1 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.294 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -70.58 -47.16 61.61 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.088 -1.007 . . . . 0.0 109.092 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.97 -37.63 86.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.279 -0.888 . . . . 0.0 110.333 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -50.08 57.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.53 -27.51 61.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 109.385 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -51.85 -54.11 32.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 108.99 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.45 -25.66 64.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.137 -0.977 . . . . 0.0 108.753 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 18' ' ' GLU . 1.2 tm-20 -71.14 -35.43 71.69 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -55.28 -45.19 76.17 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.05 78.49 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.415 -0.803 . . . . 0.0 109.03 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -53.09 -35.35 59.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.389 -0.819 . . . . 0.0 109.561 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' CA ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -72.5 -50.73 23.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.611 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -56.22 -49.12 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 110.214 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 29' ' ' SER . 33.3 mt-10 -61.0 -50.19 74.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.871 -1.143 . . . . 0.0 108.405 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 28' ' ' GLY . 52.4 tttp -58.56 -44.06 89.56 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.16 66.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 -13.11 62.12 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 93.54 13.81 54.63 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p -149.38 134.77 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -1.044 . . . . 0.0 109.007 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -117.49 122.72 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.552 -0.718 . . . . 0.0 109.433 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' OG1' ' A' ' 34' ' ' THR . 6.9 t -65.75 157.47 30.16 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.408 -0.807 . . . . 0.0 110.538 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 6.4 ttpm? -72.11 -25.06 61.59 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 t -74.49 -32.66 62.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.647 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 31' ' ' SER . 1.5 p -64.06 -50.7 67.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 108.805 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.32 -49.2 78.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 108.713 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.28 -53.9 52.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.519 -0.738 . . . . 0.0 111.35 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -75.17 -16.44 60.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.966 -1.084 . . . . 0.0 110.656 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -77.43 -35.13 54.32 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.794 -1.191 . . . . 0.0 109.214 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.8 -38.2 67.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.123 -0.986 . . . . 0.0 109.261 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.39 -47.32 76.05 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.58 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 m -55.47 -40.58 71.8 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.802 -0.562 . . . . 0.0 109.848 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.9 mt -77.59 -40.63 41.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.149 -0.969 . . . . 0.0 110.737 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.92 -27.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 O-C-N 120.781 -1.199 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -96.48 19.81 11.59 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.34 -0.85 . . . . 0.0 109.218 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -85.34 147.67 26.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.261 -0.899 . . . . 0.0 109.561 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -74.95 -4.58 38.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.81 135.82 39.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.4 -0.812 . . . . 0.0 109.319 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -70.72 -41.71 71.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.351 -0.843 . . . . 0.0 110.398 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.02 -32.22 61.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.909 -1.119 . . . . 0.0 110.358 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.55 -31.61 62.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.052 . . . . 0.0 109.121 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -77.51 -48.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.018 -1.051 . . . . 0.0 108.379 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.544 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.09 -43.89 64.13 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -70.56 -41.75 72.03 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.22 72.42 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.8 -50.65 47.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.187 -1.184 . . . . 0.0 109.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.19 -47.81 55.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.0 mt -50.32 -50.07 51.93 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.718 -0.613 . . . . 0.0 109.484 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.78 -46.51 78.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.958 -1.089 . . . . 0.0 109.408 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' OE2' ' OH ' ' A' ' 93' ' ' TYR . 74.1 mm-40 -52.51 -39.42 61.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.952 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.36 -33.54 75.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.978 . . . . 0.0 109.743 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -77.48 -28.06 52.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 mt -50.66 -54.6 34.2 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.903 -1.123 . . . . 0.0 111.516 -177.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.3 Cg_exo -54.94 -16.5 11.99 Favored 'Trans proline' 0 C--N 1.318 -1.078 0 C-N-CA 120.542 0.828 . . . . 0.0 110.457 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.87 -14.68 15.14 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.203 -0.936 . . . . 0.0 110.448 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.06 161.67 41.83 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -97.74 -178.06 3.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.094 -1.239 . . . . 0.0 108.986 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -53.17 -45.17 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.943 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.24 -50.08 75.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.056 . . . . 0.0 109.53 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 17.7 mp0 -65.33 -37.28 86.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.205 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -53.46 -51.44 62.69 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -50.67 -35.31 30.2 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.269 -0.894 . . . . 0.0 108.972 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.61 -47.15 27.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.676 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 m-85 -58.75 -46.15 88.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.085 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 93' ' ' TYR . 62.0 t -57.98 -32.39 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.15 -49.69 66.55 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -73.12 -37.87 66.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 110.504 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.39 -27.54 68.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.932 -1.105 . . . . 0.0 109.797 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.04 50.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.137 -0.977 . . . . 0.0 109.54 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.43 -41.52 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.544 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.28 -43.72 92.29 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -69.19 -36.42 77.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -1.233 . . . . 0.0 109.824 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -59.21 -30.46 68.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.103 -0.998 . . . . 0.0 109.223 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 85' ' ' LYS . 53.0 mtp180 -73.6 -41.93 62.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 109.826 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 86' ' ' GLU . 42.9 mt -73.11 29.24 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.077 -1.015 . . . . 0.0 109.871 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 83' ' ' ARG . 7.2 mtmp? 57.64 5.5 0.33 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.866 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.94 88.67 4.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.126 -0.984 . . . . 0.0 109.091 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -84.4 -38.84 19.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.394 -0.816 . . . . 0.0 109.389 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 18.7 mp0 -61.25 -47.99 83.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.0 109.93 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.1 -46.11 30.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.125 -0.985 . . . . 0.0 110.151 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.68 68.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 110.077 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 92' ' ' LYS . 3.7 mp -57.52 -56.62 19.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 108.75 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' LEU . 62.0 mttp -41.46 -36.74 0.92 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.496 -177.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 54.4 m-85 -74.4 -50.02 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.705 -1.247 . . . . 0.0 108.885 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -42.09 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.864 -1.147 . . . . 0.0 108.548 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -53.71 -26.41 22.86 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.628 -1.295 . . . . 0.0 107.59 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' O ' ' OG1' ' A' ' 100' ' ' THR . . . -72.51 -32.1 62.38 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' C ' ' HG1' ' A' ' 100' ' ' THR . 3.5 mm? -60.49 -39.54 88.05 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.869 -1.371 . . . . 0.0 108.909 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' CD2' HD22 ' A' ' 104' ' ' ASN . 9.4 mt -76.56 -50.46 13.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 110.52 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -55.54 -14.54 2.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.681 -1.262 . . . . 0.0 107.787 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.471 ' HG1' ' C ' ' A' ' 97' ' ' LEU . 7.3 p -101.87 -46.85 4.78 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' A' ' 103' ' ' GLN . 44.9 mt-10 -136.4 79.6 41.76 Favored Pre-proline 0 N--CA 1.497 1.917 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.76 43.44 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.542 1.494 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.535 ' H ' ' C ' ' A' ' 101' ' ' GLU . 67.7 mt-30 -151.51 -4.34 0.28 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.215 -0.928 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.676 ' H ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -79.03 106.61 11.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.868 -1.145 . . . . 0.0 109.361 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 10.2 p-10 -63.4 -36.71 84.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 0.0 110.05 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -56.84 -38.23 72.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.108 -0.995 . . . . 0.0 109.738 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.12 -35.62 48.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.093 -1.004 . . . . 0.0 109.353 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.26 -50.3 28.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 0.0 109.629 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.62 -32.94 69.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.81 -40.61 92.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.893 . . . . 0.0 108.939 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.55 -32.54 73.52 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.237 -0.914 . . . . 0.0 109.178 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -61.67 -41.34 97.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.295 -0.878 . . . . 0.0 109.238 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.19 -43.75 98.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.127 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.0 mt -70.72 -43.54 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.445 -0.784 . . . . 0.0 109.779 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.3 -50.4 67.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.305 -0.872 . . . . 0.0 109.846 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -56.63 -53.08 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.015 -1.053 . . . . 0.0 109.863 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.96 -49.28 78.45 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.422 ' O ' ' OD2' ' A' ' 121' ' ' ASP . 4.8 ttt -47.84 -49.7 28.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.658 -0.651 . . . . 0.0 110.36 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -80.59 -0.14 36.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.621 -1.299 . . . . 0.0 109.5 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.537 ' C ' ' H ' ' A' ' 122' ' ' GLY . 15.7 ttmm -87.97 -8.57 55.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 118' ' ' MET . 4.3 p30 -61.74 0.21 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 0.0 109.479 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.537 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 51.35 32.32 29.64 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.8 mt -51.03 125.24 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.947 -1.325 . . . . 0.0 108.715 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.57 134.65 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 110.151 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 95.06 -3.79 67.22 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 8.6 tpt 57.85 -127.06 1.64 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.144 -1.21 . . . . 0.0 109.043 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.8 130.45 45.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.12 -0.988 . . . . 0.0 109.072 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 129' ' ' VAL . 19.4 mm -138.14 167.18 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.488 ' N ' ' CG2' ' A' ' 128' ' ' ILE . 16.3 t -146.05 -9.46 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.142 -0.974 . . . . 0.0 109.404 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.91 70.18 1.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.38 128.4 1.03 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.579 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.0 mpt? -62.82 159.95 15.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -1.158 . . . . 0.0 109.423 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -167.89 133.93 2.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.903 . . . . 0.0 109.441 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.65 80.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.914 . . . . 0.0 109.286 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.46 -177.75 20.43 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -153.42 30.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.348 -1.09 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -169.44 -41.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.309 -0.869 . . . . 0.0 109.479 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 140' ' ' ALA . . . -84.04 76.53 2.22 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.52 31.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.163 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 138' ' ' GLY . . . -64.28 -168.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.278 -0.888 . . . . 0.0 109.359 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 175.3 59.32 0.06 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 144' ' ' GLY . 6.0 mp -73.72 -84.91 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.318 -1.107 . . . . 0.0 109.265 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 20.7 pt -68.23 6.85 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.243 -0.91 . . . . 0.0 109.489 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 142' ' ' LEU . . . -54.15 142.01 32.67 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.586 ' CD2' ' H ' ' A' ' 145' ' ' LEU . 1.1 pt? -91.94 -170.5 2.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -1.162 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.21 90.74 3.39 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.558 ' CG ' ' H ' ' A' ' 148' ' ' HIS . 16.4 t-80 51.47 -120.21 1.59 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.892 . . . . 0.0 109.435 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.558 ' H ' ' CG ' ' A' ' 147' ' ' HIS . 79.9 m80 -157.84 -33.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.461 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.594 ' N ' ' HD1' ' A' ' 149' ' ' HIS . 2.6 p-80 -169.22 81.06 0.13 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 150' ' ' HIS . 51.5 t-80 -70.38 44.89 0.07 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.457 ' H ' ' C ' ' A' ' 149' ' ' HIS . 57.7 t-80 -68.0 -76.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.5 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.517 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 mtt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 1.6 pp20? -170.59 -22.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.413 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.468 ' N ' ' CD ' ' A' ' 2' ' ' GLU . . . -79.35 34.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.865 . . . . 0.0 109.395 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ASN . 34.7 m -83.12 -168.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.631 -0.668 . . . . 0.0 109.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' C ' ' H ' ' A' ' 7' ' ' GLU . 7.4 mp -58.12 83.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.874 . . . . 0.0 109.222 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' VAL . 14.9 m120 -72.58 33.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 0.0 109.625 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 5' ' ' LEU . 7.7 pt-20 -76.91 -169.47 1.32 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.178 -0.951 . . . . 0.0 109.166 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 3.3 mm? -80.07 -103.2 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.16 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t -144.71 146.92 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.175 -0.953 . . . . 0.0 109.472 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -84.95 134.09 34.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.035 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.49 -23.45 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.8 mm-40 -69.5 -45.1 69.71 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.37 -0.831 . . . . 0.0 109.096 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.72 -49.68 61.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.59 -48.07 83.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.921 -1.112 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.26 -36.33 61.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.776 -1.202 . . . . 0.0 109.885 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.0 tmmm? -52.19 -38.02 56.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.774 -1.204 . . . . 0.0 108.37 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -74.41 -29.76 61.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.289 -0.882 . . . . 0.0 108.792 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -65.61 -41.37 92.83 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -54.4 -46.54 73.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.28 -48.58 67.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.148 -0.97 . . . . 0.0 108.438 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -53.49 -45.21 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.361 -0.837 . . . . 0.0 108.768 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -71.56 -51.28 24.3 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.67 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -55.21 -39.56 69.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.587 -1.32 . . . . 0.0 108.176 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.37 -48.56 79.22 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -43.51 78.18 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.79 71.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.7 20.54 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.57 12.42 53.7 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -157.54 158.45 35.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.324 -1.104 . . . . 0.0 109.914 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.49 126.42 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.585 -0.697 . . . . 0.0 109.238 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 151.71 25.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 109.571 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -58.56 -25.3 62.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.645 -0.659 . . . . 0.0 109.587 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.0 m -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.214 -0.929 . . . . 0.0 110.85 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -70.32 -48.5 56.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.89 -1.131 . . . . 0.0 110.248 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -53.51 -50.27 65.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.988 -1.07 . . . . 0.0 109.701 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.665 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.48 -49.14 77.96 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 53.9 mt-10 -71.62 -28.79 64.03 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 0.0 110.963 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -85.49 -21.94 28.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -0.913 . . . . 0.0 110.267 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.92 -50.24 21.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.948 -1.095 . . . . 0.0 109.91 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 22.0 p-90 -60.98 -33.63 73.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.504 -1.373 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' CZ2' ' A' ' 40' ' ' TRP . 88.2 m -55.83 -40.27 72.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.065 . . . . 0.0 108.895 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 16.0 mt -77.13 -53.88 7.21 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.272 -0.893 . . . . 0.0 109.554 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.9 t -50.92 -19.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 108.945 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 HH11 ' HB3' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -109.12 24.18 13.47 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 58.9 p -94.16 160.13 14.84 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.278 -0.889 . . . . 0.0 109.724 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -78.6 -8.23 58.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.87 . . . . 0.0 109.696 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -95.6 132.01 41.2 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.476 ' H ' HD21 ' A' ' 48' ' ' ASN . 2.1 m-80 -70.61 -47.31 60.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.303 -0.873 . . . . 0.0 109.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -49.85 -26.95 4.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 110.01 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -27.73 60.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 109.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.4 mt -76.29 -53.05 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.042 -1.037 . . . . 0.0 110.071 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -54.58 -31.54 56.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.692 -1.255 . . . . 0.0 107.812 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -81.67 -39.41 24.38 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.15 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 121.137 -1.214 . . . . 0.0 108.245 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.07 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.9 mt -50.55 -44.84 56.68 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.609 -0.682 . . . . 0.0 109.193 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.84 -44.85 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.025 . . . . 0.0 109.092 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.53 -33.55 60.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 109.84 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.59 -32.77 70.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.876 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.25 -29.41 57.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.14 -0.975 . . . . 0.0 111.355 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -54.08 -54.63 45.23 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.861 -1.149 . . . . 0.0 111.381 -178.151 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.0 Cg_exo -54.06 -22.81 26.27 Favored 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 120.597 0.864 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -126.85 51.12 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.306 -0.871 . . . . 0.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.59 151.88 19.07 Favored Glycine 0 N--CA 1.502 3.094 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' A' ' 69' ' ' GLU . 6.8 m -64.38 -172.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.973 -1.31 . . . . 0.0 108.958 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -74.75 -46.02 40.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.95 -1.093 . . . . 0.0 108.914 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.17 -45.56 92.84 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' A' ' 66' ' ' SER . 48.8 mt-10 -56.45 -34.73 67.13 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.41 ' C ' ' HE ' ' A' ' 71' ' ' ARG . 1.1 tt0 -54.67 -38.83 67.41 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.692 ' HE ' ' N ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -71.56 -29.37 64.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.43 -52.15 17.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.039 -1.038 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.665 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 61.2 m-85 -53.12 -37.91 62.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.947 -1.096 . . . . 0.0 108.826 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.15 -33.9 58.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.74 -50.3 58.03 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.594 -0.691 . . . . 0.0 110.044 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.35 -38.42 74.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.779 -1.201 . . . . 0.0 110.003 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 59.5 mt -59.98 -38.79 83.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.022 -1.049 . . . . 0.0 109.602 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.83 72.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.038 -1.039 . . . . 0.0 109.031 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.83 -46.78 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.6 -38.92 96.64 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-80 -71.45 -27.91 63.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -1.173 . . . . 0.0 109.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.7 t80 -68.1 -29.56 68.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.554 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -74.19 -47.92 32.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 109.845 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 86' ' ' GLU . 37.2 mt -70.35 31.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.098 -1.001 . . . . 0.0 110.203 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.5 mttp 54.86 3.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 110.269 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 84' ' ' LEU . 80.1 mt-10 -78.09 88.08 4.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.24 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.22 -38.03 21.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 109.805 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.51 -50.62 72.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.135 -0.978 . . . . 0.0 109.883 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.268 -0.895 . . . . 0.0 109.85 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.93 86.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.8 mp -76.07 -19.31 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 0.0 109.392 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -73.16 -35.98 66.54 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.58 -41.37 60.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.826 -0.546 . . . . 0.0 109.778 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.78 -30.62 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.166 -0.959 . . . . 0.0 110.77 -178.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -64.45 -48.57 74.79 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.947 -1.721 . . . . 0.0 108.275 179.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.29 -27.66 72.68 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 36.3 tp -62.57 -37.43 86.14 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.212 -1.169 . . . . 0.0 109.045 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.53 -35.93 58.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.922 -1.111 . . . . 0.0 109.387 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -54.38 -24.01 17.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 40.2 p -96.45 -48.15 5.68 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.75 77.6 75.28 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.785 -0.572 . . . . 0.0 109.996 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.523 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 2.1 Cg_endo -65.99 -15.28 48.12 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.492 1.462 . . . . 0.0 109.631 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -88.54 -3.35 58.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.374 -0.829 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -73.11 103.88 4.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 0.0 109.414 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.696 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -70.04 -39.46 75.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.524 -179.186 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -55.59 -28.84 57.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.09 . . . . 0.0 109.368 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.16 38.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.342 -0.849 . . . . 0.0 109.203 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 55.6 mttp -57.9 -40.63 80.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.89 . . . . 0.0 109.386 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.79 -51.24 70.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.7 tp -51.68 -41.61 61.55 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.388 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.64 -33.62 76.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.05 -1.031 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.6 -48.11 42.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 110.19 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.2 mt -56.74 -46.53 81.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 0.0 109.154 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 43.9 mt -68.6 -50.3 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 109.563 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 119' ' ' LYS . 6.6 t70 -54.64 -43.94 72.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.776 . . . . 0.0 110.174 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.63 -53.41 57.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.982 -1.074 . . . . 0.0 109.915 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.7 80.63 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.99 -43.69 29.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.711 -0.618 . . . . 0.0 111.314 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 23.6 mmtm -73.2 -65.2 0.84 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 109.969 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER -56.33 -5.42 0.2 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.971 -1.081 . . . . 0.0 109.834 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 119' ' ' LYS . 25.2 t70 -55.67 -4.51 0.11 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.106 -0.996 . . . . 0.0 109.969 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 134.66 92.86 0.44 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.4 127.14 32.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -1.143 . . . . 0.0 109.246 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.5 t -89.35 150.07 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 109.514 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.04 -5.29 32.52 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.2 mtt 48.94 -127.27 2.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -1.157 . . . . 0.0 109.08 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.42 125.94 30.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.208 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.28 -160.15 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.524 ' C ' ' H ' ' A' ' 131' ' ' GLY . 25.0 t 54.45 83.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.848 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' MET . . . 72.21 -20.2 0.97 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 68.32 -50.97 0.43 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -170.58 115.18 0.46 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -1.125 . . . . 0.0 109.242 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.98 123.5 25.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.191 -0.943 . . . . 0.0 109.664 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.81 -169.18 2.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 108.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 137' ' ' ALA . . . 90.77 -64.7 2.76 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.8 m -50.3 -18.28 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -1.153 . . . . 0.0 109.405 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 135' ' ' GLY . . . -86.62 123.72 32.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 109.438 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -172.9 75.85 0.09 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.4 mt -77.28 -59.71 2.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -1.142 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.57 -51.84 25.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 109.499 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 71.18 81.22 0.29 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 144' ' ' GLY . 14.5 mt -78.43 177.81 8.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -1.148 . . . . 0.0 109.49 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 19.5 pt -76.14 25.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' A' ' 142' ' ' LEU . . . -77.33 157.78 46.78 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 144' ' ' GLY . 33.0 mt -62.75 -127.9 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -1.151 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 4.0 pt-20 -154.26 -43.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 146' ' ' GLU . 37.8 m80 -159.45 -18.61 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 109.49 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -52.71 -8.32 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.505 ' H ' ' C ' ' A' ' 147' ' ' HIS . 12.2 t-80 -68.44 -16.78 64.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.483 ' N ' ' HD1' ' A' ' 150' ' ' HIS . 0.5 OUTLIER -65.59 -49.7 67.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 0.0 109.534 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.548 ' N ' ' HD1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -168.79 -169.23 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 0.0 109.448 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.974 -1.013 . . . . 0.0 109.462 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 3' ' ' ALA . 6.8 tp10 -170.88 -6.05 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 2' ' ' GLU . . . -55.76 -168.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.216 -0.928 . . . . 0.0 109.421 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.1 m -92.75 86.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 7' ' ' GLU . 5.6 mp -71.78 43.93 0.1 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' A' ' 4' ' ' VAL . 15.3 p30 -63.9 80.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' LEU . 29.6 tt0 -79.87 135.1 36.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.081 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD13 ' H ' ' A' ' 9' ' ' VAL . 35.5 tp -148.9 143.05 25.98 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.438 ' H ' HD13 ' A' ' 8' ' ' LEU . 48.7 t -42.62 117.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.226 -0.921 . . . . 0.0 109.678 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 m -48.48 119.29 2.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.367 -0.833 . . . . 0.0 109.56 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.82 -24.84 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.3 mm-40 -67.4 -47.5 70.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.491 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 11.3 t70 -67.62 -45.22 76.05 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 108.982 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.32 -50.16 75.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.409 -0.807 . . . . 0.0 109.657 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.0 -39.63 55.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.78 -1.2 . . . . 0.0 109.984 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.1 tmmm? -52.61 -48.81 66.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.763 -1.211 . . . . 0.0 108.798 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.05 -30.19 69.34 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.7 -41.83 78.57 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -56.39 -40.66 74.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -61.67 -49.34 76.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.3 -0.875 . . . . 0.0 109.03 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.16 -35.95 62.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.212 -0.93 . . . . 0.0 109.106 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -72.79 -52.36 15.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.417 -0.802 . . . . 0.0 109.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t -65.81 -45.95 80.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.827 -1.171 . . . . 0.0 110.002 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -59.8 -42.12 92.71 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.073 -1.017 . . . . 0.0 108.667 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -69.78 -38.99 76.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.81 71.37 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -16.26 22.27 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.07 16.46 50.76 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' GLU . 57.8 m -154.12 123.38 6.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.55 -0.971 . . . . 0.0 109.062 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.47 125.62 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.449 -0.782 . . . . 0.0 109.9 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.4 p -74.17 134.36 42.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.456 -0.778 . . . . 0.0 109.396 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.63 -19.08 14.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.359 -0.838 . . . . 0.0 109.286 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.2 t -75.25 -38.66 60.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.375 -0.828 . . . . 0.0 110.439 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -64.58 -48.84 73.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.959 -1.088 . . . . 0.0 110.16 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -59.14 -40.9 86.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.932 -1.105 . . . . 0.0 109.45 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.699 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -64.95 -50.21 67.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.406 -0.809 . . . . 0.0 110.52 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -68.93 -23.86 64.21 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.99 0.9 . . . . 0.0 110.51 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -81.16 -29.62 34.64 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.533 -0.729 . . . . 0.0 110.699 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.47 -51.72 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.78 -1.2 . . . . 0.0 110.612 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -57.7 -32.91 67.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 117.555 -1.658 . . . . 0.0 108.219 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -56.15 -42.23 76.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.842 -1.161 . . . . 0.0 109.243 178.536 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' SER . 15.4 mt -78.06 -49.02 14.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.13 -0.981 . . . . 0.0 110.416 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.2 t -49.67 -19.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.24 -0.912 . . . . 0.0 109.465 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -94.67 12.84 26.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LEU . 52.7 p -96.04 159.43 14.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 36.4 mtmt -97.65 53.07 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.173 -0.954 . . . . 0.0 109.766 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 59.2 m-85 -149.98 119.49 6.93 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 108.845 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -50.14 -48.98 53.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 111.138 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -51.99 -45.12 64.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.734 -1.229 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.777 -1.202 . . . . 0.0 109.785 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.24 -41.29 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.868 -1.145 . . . . 0.0 109.035 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -51.99 -31.28 28.74 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -73.09 -40.39 65.03 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.72 -39.27 66.63 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.67 -54.75 30.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.012 -1.287 . . . . 0.0 109.181 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.69 -51.99 66.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 CA-C-O 121.353 0.597 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.85 -47.74 60.21 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.36 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.45 -45.4 38.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 110.077 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.15 -51.66 69.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.794 -1.191 . . . . 0.0 109.481 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.18 -32.22 46.76 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.002 -1.061 . . . . 0.0 109.399 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.9 mt -76.95 -27.79 54.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.531 -0.73 . . . . 0.0 111.343 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -50.27 -54.34 35.14 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.705 -1.247 . . . . 0.0 111.541 -177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.98 -21.07 32.45 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 N-CA-C 109.92 -0.838 . . . . 0.0 109.92 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -103.39 5.22 37.02 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.337 -0.852 . . . . 0.0 110.968 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.49 146.94 17.43 Favored Glycine 0 N--CA 1.503 3.145 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -70.88 -163.18 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.015 -1.285 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 67' ' ' LYS . 12.3 mptt -74.89 -45.73 40.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.83 -1.168 . . . . 0.0 109.141 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.75 -31.18 70.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.07 -1.019 . . . . 0.0 108.463 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.86 -38.48 79.78 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -54.75 -49.65 70.32 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.505 ' NH2' ' OE2' ' A' ' 101' ' ' GLU . 38.0 mtp180 -52.22 -37.3 54.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.312 -0.868 . . . . 0.0 109.129 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -77.62 -51.68 10.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.003 -1.06 . . . . 0.0 109.306 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.699 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 30.9 m-85 -56.14 -43.79 78.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 108.667 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.61 -33.63 55.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.99 -49.81 64.21 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.658 -0.651 . . . . 0.0 110.215 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -70.01 -39.14 76.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.848 -1.157 . . . . 0.0 109.938 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.48 -45.02 95.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.956 -1.09 . . . . 0.0 109.702 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.84 69.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.823 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.67 -41.88 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.528 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.37 -44.37 84.95 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.71 -27.33 68.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -1.218 . . . . 0.0 109.249 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.64 -29.72 66.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 108.936 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.564 ' C ' ' H ' ' A' ' 85' ' ' LYS . 20.7 mmm180 -73.08 -47.69 42.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.364 -0.835 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.6 mt -68.86 27.91 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.564 ' H ' ' C ' ' A' ' 83' ' ' ARG . 68.3 mttt 57.02 1.74 0.1 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.041 . . . . 0.0 109.974 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 84' ' ' LEU . 64.8 mm-40 -76.81 87.0 3.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 109.006 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 6.6 m-85 -79.07 -36.55 40.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.919 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.6 mp0 -62.74 -50.17 72.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.96 . . . . 0.0 110.153 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -66.99 -36.02 81.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.158 -0.964 . . . . 0.0 110.112 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.33 46.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.147 -0.971 . . . . 0.0 109.912 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mp -59.63 -20.53 56.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.032 -1.042 . . . . 0.0 109.306 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.41 -36.22 63.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 108.003 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.21 -38.88 55.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.722 -0.611 . . . . 0.0 109.668 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -34.4 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.216 -0.928 . . . . 0.0 110.543 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -65.29 -48.09 74.36 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.316 -1.49 . . . . 0.0 109.414 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.21 -28.16 73.65 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' O ' ' OG1' ' A' ' 100' ' ' THR . 55.6 tp -61.75 -36.56 81.37 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.284 -1.127 . . . . 0.0 108.978 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.41 -33.83 60.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.304 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -52.71 -29.53 27.35 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 28.3 p -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.616 0.722 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.505 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 36.1 mt-10 -130.23 78.23 74.89 Favored Pre-proline 0 N--CA 1.501 2.091 0 O-C-N 121.931 -0.481 . . . . 0.0 110.228 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.59 -17.58 60.03 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.59 1.526 . . . . 0.0 110.472 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.1 10.03 37.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.067 -1.021 . . . . 0.0 110.337 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 27.3 t-20 -81.65 112.83 19.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.89 -1.131 . . . . 0.0 109.479 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.99 -43.27 71.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 110.681 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -56.4 -33.29 65.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.085 . . . . 0.0 109.93 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 104' ' ' ASN . . . -79.44 -38.72 34.02 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.094 -1.004 . . . . 0.0 109.541 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -68.1 -46.35 71.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 110.007 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.15 -37.63 83.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.057 -1.027 . . . . 0.0 109.438 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.31 -41.14 96.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.56 -28.85 68.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.198 -0.938 . . . . 0.0 109.347 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -71.61 -44.59 64.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.703 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.178 -0.951 . . . . 0.0 109.164 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.0 mt -65.18 -52.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.509 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -40.2 68.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -55.51 -48.06 75.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.41 -49.15 78.33 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.484 ' SD ' ' CD2' ' A' ' 87' ' ' TYR . 24.9 mmm -48.11 -48.8 33.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.486 -0.759 . . . . 0.0 110.207 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -63.02 -33.15 74.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.559 -1.338 . . . . 0.0 109.315 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' A' ' 122' ' ' GLY . 2.8 ttmp? -67.36 -57.23 7.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -74.73 22.16 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 0.0 109.44 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -150.23 51.62 0.53 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.42 110.5 0.34 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.367 -1.078 . . . . 0.0 109.736 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 125' ' ' GLY . 6.4 p -110.97 162.82 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' A' ' 124' ' ' VAL . . . 62.36 72.63 0.62 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.2 mtt -58.52 -101.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -1.117 . . . . 0.0 109.382 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.76 133.61 36.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.339 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -141.56 15.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 CA-C-O 122.895 1.331 . . . . 0.0 108.497 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 130' ' ' GLY . 42.1 t 45.6 73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.618 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 129' ' ' VAL . . . 61.7 145.72 0.01 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -177.39 148.3 8.71 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 67.1 mtt 50.38 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.208 -1.172 . . . . 0.0 109.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -172.12 142.18 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.4 mt -68.1 76.41 0.23 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.4 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.73 -16.77 0.02 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.64 99.21 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -1.146 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -53.45 177.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 0.0 109.489 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -65.93 2.94 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.1 mt 56.06 70.1 0.67 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -1.14 . . . . 0.0 109.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.83 150.31 20.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.496 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -178.8 76.99 0.07 OUTLIER Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.12 -56.89 8.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.25 -1.147 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 19.1 pt -63.1 -30.57 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 0.0 109.415 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 50.34 -103.6 0.09 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 147' ' ' HIS . 0.3 OUTLIER -72.25 -124.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -1.145 . . . . 0.0 109.447 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 69.81 -6.27 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.35 -0.843 . . . . 0.0 109.063 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 145' ' ' LEU . 32.2 m170 -94.25 -46.64 6.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 109.352 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -171.88 -82.05 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 25.3 t60 -170.98 -179.14 2.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.42 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.609 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 31.6 m170 51.58 -156.27 0.14 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -167.06 179.94 4.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.448 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.464 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.74 82.87 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.75 -179.92 0.14 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 m -64.28 141.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.6 mm? -90.36 75.02 6.9 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.257 -0.902 . . . . 0.0 109.151 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 7' ' ' GLU . 18.3 t-20 -77.64 18.55 0.44 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.121 -0.987 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 5' ' ' LEU . 43.2 tt0 43.5 94.08 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.66 -0.65 . . . . 0.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.47 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 109.153 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.26 117.55 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 m -65.67 135.62 55.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.358 -0.838 . . . . 0.0 109.384 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.74 -29.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.069 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.65 -42.16 95.61 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.068 -1.02 . . . . 0.0 108.763 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.31 -43.66 77.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.434 -0.791 . . . . 0.0 109.931 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -43.62 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.88 -1.138 . . . . 0.0 109.82 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.41 -37.68 56.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.775 -1.203 . . . . 0.0 109.186 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.89 63.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.945 . . . . 0.0 108.676 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -71.5 -27.58 63.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.59 -38.35 74.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 0.0 108.522 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -54.11 -46.43 72.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -56.47 -48.44 77.11 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.101 -0.999 . . . . 0.0 108.768 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.35 -32.24 66.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.19 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.27 -52.91 10.91 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.85 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.19 -50.65 72.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.666 -1.271 . . . . 0.0 109.931 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 29' ' ' SER . 12.0 mm-40 -57.43 -52.1 66.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.135 -0.978 . . . . 0.0 108.797 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -58.38 -38.09 76.6 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.327 -0.858 . . . . 0.0 109.433 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.93 -40.71 70.2 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -15.25 17.75 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.79 47.47 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -151.59 159.42 44.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.99 . . . . 0.0 108.949 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -137.75 125.34 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.366 -0.834 . . . . 0.0 109.351 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -75.19 140.9 43.61 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.395 -0.816 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.06 -35.44 64.53 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.417 -0.802 . . . . 0.0 108.974 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.6 m -53.47 -35.98 61.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.934 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -49.03 16.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.102 -0.998 . . . . 0.0 109.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.98 -38.29 78.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.25 -53.01 27.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 110.296 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.83 -16.82 60.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.017 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.044 -1.035 . . . . 0.0 109.126 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.091 -1.006 . . . . 0.0 109.03 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.7 -44.98 77.91 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.331 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.7 m -54.46 -43.92 72.1 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.634 -0.666 . . . . 0.0 110.408 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.96 -39.75 49.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.905 -1.122 . . . . 0.0 110.459 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -52.74 -21.29 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.059 -1.025 . . . . 0.0 109.763 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -108.63 28.51 8.32 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 p -86.08 161.56 18.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.655 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -82.91 -6.28 59.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -106.85 140.23 40.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -71.11 -45.0 64.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.351 -0.843 . . . . 0.0 110.309 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.01 -35.82 36.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.88 -32.05 63.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.843 -1.16 . . . . 0.0 108.934 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.83 -47.84 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.976 -1.078 . . . . 0.0 108.709 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.562 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.5 OUTLIER -52.47 -38.38 59.24 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -71.33 -36.58 71.61 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.13 -39.27 97.77 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.8 -33.23 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.892 -1.358 . . . . 0.0 108.111 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.92 -50.06 51.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 mt -48.68 -50.22 34.2 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.75 -45.33 90.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.024 -1.047 . . . . 0.0 109.545 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.76 -43.4 80.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.064 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.83 -34.74 65.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.139 -0.976 . . . . 0.0 110.256 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.9 mt -77.98 -27.46 49.09 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.207 -0.933 . . . . 0.0 111.687 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -49.64 -53.77 38.02 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.69 -1.257 . . . . 0.0 111.169 -177.493 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.7 Cg_exo -58.6 -21.07 53.26 Favored 'Trans proline' 0 C--N 1.315 -1.196 0 N-CA-C 110.018 -0.801 . . . . 0.0 110.018 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -106.84 -5.93 18.03 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.306 -0.871 . . . . 0.0 111.407 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 149.1 23.57 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.051 -1.264 . . . . 0.0 109.054 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.06 -46.49 28.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.755 -1.216 . . . . 0.0 109.477 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.412 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 6.3 mp0 -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.73 -49.19 78.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.934 -1.104 . . . . 0.0 108.505 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.26 -33.2 40.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.19 -0.944 . . . . 0.0 108.905 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.02 -47.42 20.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.284 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.1 m-85 -54.31 -45.05 72.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.75 -33.52 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.145 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.93 -50.47 68.54 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.717 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -68.8 -35.25 76.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.673 -1.267 . . . . 0.0 110.044 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.44 -44.71 92.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.107 -0.995 . . . . 0.0 109.427 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.82 71.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.086 -1.009 . . . . 0.0 108.891 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.43 -46.2 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.874 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.15 94.76 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.21 -28.49 67.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -1.189 . . . . 0.0 109.505 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 4.0 t80 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.1 OUTLIER -74.68 -42.41 58.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 110.096 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.553 ' C ' ' H ' ' A' ' 86' ' ' GLU . 39.5 mt -67.17 31.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.993 -1.067 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.553 ' H ' ' C ' ' A' ' 83' ' ' ARG . 15.2 ttpp 56.82 -0.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.043 . . . . 0.0 110.173 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.553 ' H ' ' C ' ' A' ' 84' ' ' LEU . 50.3 mm-40 -78.23 91.84 4.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.895 -1.128 . . . . 0.0 109.027 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -84.49 -36.71 22.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.51 -51.23 37.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.735 -1.228 . . . . 0.0 110.145 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.93 -47.86 78.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 110.216 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.41 -36.1 61.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.961 -1.087 . . . . 0.0 109.865 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.12 -17.28 59.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.087 -1.008 . . . . 0.0 109.734 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -65.63 -39.83 91.89 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.24 -33.42 56.09 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.832 -0.543 . . . . 0.0 109.569 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -39.55 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.037 -1.039 . . . . 0.0 109.011 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.51 -46.83 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 109.218 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.61 -27.96 73.48 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' OG1' ' A' ' 100' ' ' THR . 40.0 tp -61.76 -36.12 80.11 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.209 -1.171 . . . . 0.0 108.988 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.8 mt -75.82 -35.78 59.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.848 -1.158 . . . . 0.0 109.37 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -52.94 -27.89 20.99 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 20.1 p -92.14 -44.97 8.51 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.627 0.727 . . . . 0.0 109.086 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.98 76.85 76.32 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.914 -0.491 . . . . 0.0 110.141 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.8 -21.26 58.25 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.334 1.356 . . . . 0.0 109.679 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.4 -1.31 55.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.666 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -71.89 99.93 2.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.517 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -67.42 -37.39 82.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.604 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -56.29 -45.89 80.01 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.15 -0.969 . . . . 0.0 109.372 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.54 84.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.472 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.35 -35.28 75.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.14 -51.67 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.19 -37.52 64.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.449 -0.782 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.222 -0.924 . . . . 0.0 108.772 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -72.55 -48.57 39.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.328 -0.857 . . . . 0.0 109.455 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 108.812 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.2 -38.86 81.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.627 -0.67 . . . . 0.0 109.724 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -75.28 -44.54 45.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 109.634 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -56.4 -52.13 65.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.925 . . . . 0.0 109.416 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.24 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.431 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 29.9 ttm -48.4 -42.94 33.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.68 -0.638 . . . . 0.0 110.361 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.85 -27.26 33.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.621 -1.299 . . . . 0.0 109.67 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 122' ' ' GLY . 83.3 tttt -81.43 -12.28 58.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.194 -0.941 . . . . 0.0 109.776 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 118' ' ' MET . 54.1 p-10 -68.7 9.44 0.37 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.018 . . . . 0.0 109.434 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 88.53 -52.78 4.03 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 124' ' ' VAL . 4.1 mp -49.77 158.33 0.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 108.785 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 126' ' ' MET . 3.0 t 54.02 167.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.478 ' N ' ' CG1' ' A' ' 124' ' ' VAL . . . 66.02 -56.41 0.16 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 124' ' ' VAL . 25.0 mmt 53.95 -162.16 0.12 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -1.134 . . . . 0.0 108.903 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.31 129.32 41.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.054 -1.029 . . . . 0.0 109.423 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 128' ' ' ILE . 24.2 mm -105.42 148.79 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.54 -0.725 . . . . 0.0 109.163 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 31.9 t -147.3 -23.92 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.234 -0.916 . . . . 0.0 109.463 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.46 82.58 0.1 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.87 -172.62 26.32 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 44.4 mtt -69.83 -28.63 65.86 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -1.161 . . . . 0.0 109.483 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.78 150.95 43.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.6 mt -69.99 170.02 12.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.263 -0.898 . . . . 0.0 109.402 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.13 127.6 21.63 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -69.96 -12.76 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.308 -1.113 . . . . 0.0 109.508 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -171.77 -93.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 109.391 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.47 -63.87 1.79 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.2 mt 52.5 72.67 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.202 -1.175 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.81 -58.1 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.318 -0.864 . . . . 0.0 109.295 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -175.26 89.91 0.08 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.21 34.4 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -1.135 . . . . 0.0 109.218 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.56 -13.8 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.132 -0.98 . . . . 0.0 109.39 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.77 139.7 6.15 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.49 91.19 2.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -1.133 . . . . 0.0 109.346 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 10.3 pt-20 -66.46 -17.26 64.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 0.0 109.461 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 146' ' ' GLU . 52.9 m80 -158.55 170.55 21.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.882 . . . . 0.0 109.456 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 147' ' ' HIS . 19.4 m80 56.84 164.31 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.611 ' N ' ' HD1' ' A' ' 149' ' ' HIS . 3.3 p-80 -173.28 92.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 109.417 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -69.03 64.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.516 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 149' ' ' HIS . 43.6 t-80 51.5 94.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.912 . . . . 0.0 109.493 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 10.8 t60 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.466 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 51.87 74.4 0.26 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 0.0 109.423 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -71.65 132.93 45.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 109.46 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.03 54.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.224 -0.923 . . . . 0.0 109.453 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' ALA . 4.5 tp -94.89 30.19 2.16 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.262 1.03 . . . . 0.0 108.472 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 5' ' ' LEU . 19.9 m-20 52.59 176.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.822 -1.174 . . . . 0.0 109.5 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -44.35 146.82 0.63 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.767 -0.583 . . . . 0.0 109.724 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -79.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.18 -0.95 . . . . 0.0 109.359 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -90.35 158.95 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.096 -1.002 . . . . 0.0 109.167 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.8 m -89.43 128.01 35.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 108.81 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.53 -23.06 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 108.895 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 48.7 mt-10 -66.49 -45.98 77.82 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.403 -0.811 . . . . 0.0 109.261 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -67.8 -50.69 55.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.121 -0.987 . . . . 0.0 110.492 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.35 -48.97 70.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.933 -1.104 . . . . 0.0 109.439 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LYS . 58.6 mt -77.73 -42.39 34.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.951 -1.093 . . . . 0.0 110.513 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.0 tmmm? -51.63 -47.48 63.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.619 -1.301 . . . . 0.0 108.642 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 26.8 m-85 -67.32 -29.06 68.53 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -75.16 -34.61 61.61 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . 44.6 tttt -54.4 -45.99 73.04 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -62.59 -46.75 86.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.58 -38.89 60.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.363 -0.835 . . . . 0.0 109.329 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.41 -51.66 19.41 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.291 -0.881 . . . . 0.0 110.346 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -65.06 -35.63 81.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.782 -1.198 . . . . 0.0 109.647 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' SER . 45.0 mm-40 -59.04 -49.86 76.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.812 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -63.34 -33.6 75.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.062 . . . . 0.0 108.914 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.72 82.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.47 -16.77 26.13 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.8 15.46 52.39 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLU . 75.0 m -151.94 157.19 41.44 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.391 -1.064 . . . . 0.0 109.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.41 121.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.433 -0.792 . . . . 0.0 109.603 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.5 p -80.87 142.35 33.7 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.534 -0.729 . . . . 0.0 109.409 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -55.59 -30.47 60.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.345 -0.847 . . . . 0.0 109.135 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -54.24 -48.53 71.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -65.08 -49.93 68.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.085 -1.009 . . . . 0.0 110.202 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -55.47 -46.57 76.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.156 -0.965 . . . . 0.0 109.64 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.82 -49.45 76.24 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.449 -0.782 . . . . 0.0 110.556 -179.424 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.563 ' O ' ' NE1' ' A' ' 40' ' ' TRP . 18.6 mm-40 -68.26 -23.39 64.77 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.988 0.899 . . . . 0.0 110.785 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -84.14 -28.11 27.67 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.563 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.15 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.919 -1.113 . . . . 0.0 110.925 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' NE1' ' O ' ' A' ' 37' ' ' GLU . 9.9 p-90 -57.63 -39.41 76.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.553 -1.342 . . . . 0.0 108.227 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 84.5 m -56.42 -39.28 72.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.857 . . . . 0.0 110.921 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' C ' ' N ' ' A' ' 44' ' ' ARG . 13.7 mt -70.76 -57.67 4.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.762 -1.211 . . . . 0.0 110.268 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.528 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 16.7 m -52.75 -14.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.223 -0.923 . . . . 0.0 108.561 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 42.4 ttt180 -81.17 10.86 4.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 28.9 t -104.26 -146.96 0.38 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.158 -0.964 . . . . 0.0 109.098 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -146.3 10.9 1.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.071 -1.018 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 80.4 m-85 -99.71 120.59 39.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.221 -0.924 . . . . 0.0 108.976 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -49.09 -49.29 42.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 0.0 110.806 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.05 -41.6 62.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.77 -1.206 . . . . 0.0 111.007 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -71.74 -50.1 33.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.875 -1.14 . . . . 0.0 109.521 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' A' ' 50' ' ' ASP . 24.0 mt -60.31 -46.34 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.518 -0.739 . . . . 0.0 109.157 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -52.38 -55.05 24.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.981 . . . . 0.0 108.458 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -54.94 -36.49 65.34 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.63 -40.27 87.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG22 HD11 ' A' ' 55' ' ' ILE . 15.4 mm -58.33 -53.67 43.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.05 -1.265 . . . . 0.0 108.712 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -54.16 -49.86 59.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.569 0.7 . . . . 0.0 109.223 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.57 -50.43 42.41 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.499 -0.751 . . . . 0.0 110.01 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.81 -41.04 65.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.694 -1.254 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.75 -40.24 94.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.941 -1.099 . . . . 0.0 110.114 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -62.0 -35.41 78.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.84 -28.35 55.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.191 -0.943 . . . . 0.0 111.699 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -52.03 -53.97 45.99 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.833 -1.167 . . . . 0.0 111.555 -177.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -53.45 -19.55 13.61 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 N-CA-C 110.039 -0.793 . . . . 0.0 110.039 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -116.66 7.34 13.53 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.401 -0.812 . . . . 0.0 110.612 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.99 150.32 20.93 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -70.15 -168.93 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.995 -1.297 . . . . 0.0 108.486 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -75.73 -46.92 28.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.592 -1.318 . . . . 0.0 109.076 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -58.68 -49.4 77.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.452 -0.78 . . . . 0.0 109.523 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.84 -29.84 68.55 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.165 -0.959 . . . . 0.0 108.686 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -56.01 -52.28 64.78 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -53.54 -33.1 53.39 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.394 -0.816 . . . . 0.0 108.801 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -77.67 -49.78 13.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.929 . . . . 0.0 109.1 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 34.9 m-85 -52.01 -49.5 63.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.952 . . . . 0.0 108.606 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.01 -32.13 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.43 -50.22 47.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 0.0 110.592 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -66.79 -34.45 77.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.656 -1.278 . . . . 0.0 109.008 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.13 -46.6 88.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.918 . . . . 0.0 109.994 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.3 67.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.072 . . . . 0.0 109.181 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.66 -45.88 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.921 . . . . 0.0 109.54 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.27 98.09 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -72.2 -29.73 64.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -1.234 . . . . 0.0 109.492 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.8 t80 -66.23 -30.21 70.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.947 . . . . 0.0 108.93 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.549 ' C ' ' H ' ' A' ' 85' ' ' LYS . 27.2 ttm180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.0 109.589 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 86' ' ' GLU . 92.3 mt -70.09 26.66 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 110.036 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 83' ' ' ARG . 64.6 mttt 57.98 1.39 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.0 109.852 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -76.51 92.62 3.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.062 -1.023 . . . . 0.0 108.89 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.92 -36.72 21.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 110.209 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.67 -51.25 60.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.839 -1.163 . . . . 0.0 109.985 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -68.71 -46.86 67.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.099 -1.001 . . . . 0.0 110.204 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.37 67.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.949 -1.095 . . . . 0.0 109.82 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.6 mt -72.8 -17.8 61.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.118 -0.988 . . . . 0.0 109.717 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -65.07 -40.08 94.17 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -77.34 -33.88 55.36 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -38.21 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.239 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.01 -46.04 89.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.35 -1.469 . . . . 0.0 108.785 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.15 -28.19 73.44 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.481 ' O ' ' OG1' ' A' ' 100' ' ' THR . 33.9 tp -60.96 -36.27 78.94 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.197 -1.178 . . . . 0.0 109.088 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.98 -35.44 59.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.745 -1.222 . . . . 0.0 109.384 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -54.48 -24.97 22.61 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 34.0 p -94.93 -48.3 6.06 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -129.01 77.58 77.7 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.802 -0.561 . . . . 0.0 110.126 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.36 -22.83 52.15 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 121.269 1.313 . . . . 0.0 109.57 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -80.4 -3.36 49.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 106' ' ' GLN . 59.0 t-20 -72.03 99.23 2.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.375 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.691 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.5 OUTLIER -68.33 -35.74 78.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 0.0 109.532 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.603 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 2.7 mp0 -56.28 -43.06 78.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.186 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.02 84.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.476 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -56.34 -44.27 79.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.282 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.48 -51.07 67.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -51.07 -38.85 54.09 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.96 -32.35 73.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.053 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.18 -46.65 55.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 109.556 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.66 -46.32 81.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 108.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.09 -38.36 81.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.9 -40.47 68.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.482 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -56.6 -52.71 63.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.636 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.74 79.28 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.2 ttm -47.75 -46.93 30.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.729 -0.607 . . . . 0.0 110.354 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.408 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.7 mptm? -81.88 -7.08 59.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.08 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' A' ' 122' ' ' GLY . 52.8 tttp -79.72 -37.79 34.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.234 -0.916 . . . . 0.0 109.502 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -71.39 45.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.298 -0.876 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 164.22 53.41 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.39 128.82 36.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -1.042 . . . . 0.0 109.963 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 126' ' ' MET . 5.0 t -146.83 143.72 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.07 12.07 0.23 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.506 ' H ' ' C ' ' A' ' 124' ' ' VAL . 33.0 mtt 47.36 42.74 14.43 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.228 -1.16 . . . . 0.0 108.839 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 57.78 125.86 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.875 0.845 . . . . 0.0 109.933 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.0 mm -89.12 122.94 41.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 109.292 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 131' ' ' GLY . 89.7 t -154.92 86.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 55.66 4.99 0.73 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 76.84 38.99 29.76 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 36.7 ttm -171.48 138.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.17 -1.194 . . . . 0.0 109.575 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 135' ' ' GLY . . . -173.94 125.05 0.35 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 136' ' ' VAL . 21.2 mt -78.16 35.62 0.22 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.293 -0.88 . . . . 0.0 109.466 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 133' ' ' ALA . . . 75.87 -28.12 1.35 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.491 ' H ' ' C ' ' A' ' 134' ' ' LEU . 2.8 t -145.65 37.57 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.235 -1.156 . . . . 0.0 109.211 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -85.77 -134.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.01 69.46 1.35 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -78.11 -30.09 49.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.311 -1.111 . . . . 0.0 109.169 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 141' ' ' GLY . . . -67.15 149.1 50.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.496 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 140' ' ' ALA . . . -63.17 -133.37 0.01 OUTLIER Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 166.93 -36.62 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 10.9 tt -46.75 -22.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 109.646 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -66.76 -129.22 0.02 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.76 -152.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -1.115 . . . . 0.0 109.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -84.45 -26.32 28.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 109.466 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.516 ' CD2' ' NE2' ' A' ' 149' ' ' HIS . 65.3 t60 52.92 42.12 32.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 0.0 109.419 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.572 ' ND1' ' NE2' ' A' ' 150' ' ' HIS . 0.5 OUTLIER -69.63 -170.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 0.0 109.488 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 148' ' ' HIS . 95.0 m-70 -158.31 -18.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.314 -0.866 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.572 ' NE2' ' ND1' ' A' ' 148' ' ' HIS . 39.3 m-70 51.44 -173.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.91 . . . . 0.0 109.47 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -62.05 -13.55 27.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 0.0 109.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.583 ' N ' ' HD1' ' A' ' 152' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 3' ' ' ALA . 20.6 mmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 31.0 mm-40 -72.4 40.96 0.08 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.496 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 5' ' ' LEU . . . -167.92 166.46 13.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.42 36.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.149 -0.969 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 3' ' ' ALA . 3.1 tt -82.55 122.73 28.46 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.451 -0.781 . . . . 0.0 109.124 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -154.68 35.86 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.697 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.1 pt-20 -170.15 32.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.578 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.7 mt 43.07 -96.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.7 -0.625 . . . . 0.0 110.218 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLU . 21.9 t -74.95 139.67 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.749 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m -70.5 133.53 46.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.259 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.39 -26.86 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.316 -0.865 . . . . 0.0 108.933 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -68.62 -46.3 69.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.168 -0.958 . . . . 0.0 109.005 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.3 -48.07 79.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.291 -0.881 . . . . 0.0 110.262 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 109.711 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.44 -38.62 55.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.751 -1.218 . . . . 0.0 109.182 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -50.86 -52.23 43.68 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 27.0 m-85 -64.03 -27.99 69.49 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.83 -34.57 64.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.29 -0.881 . . . . 0.0 108.674 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -54.25 -47.85 71.79 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' OE2' ' A' ' 24' ' ' GLU . 12.8 mtmt -63.7 -48.18 78.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 108.653 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -52.67 -40.37 62.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.206 -0.933 . . . . 0.0 109.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -70.78 -52.3 21.52 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.387 -0.821 . . . . 0.0 110.002 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -58.76 -42.1 88.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.41 -43.8 79.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 108.763 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -62.12 -36.02 80.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.095 -1.003 . . . . 0.0 108.619 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.1 -45.62 75.46 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.84 26.74 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.16 55.49 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.46 158.48 42.66 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.517 -0.99 . . . . 0.0 109.536 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -139.35 118.2 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.449 -0.782 . . . . 0.0 109.602 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -71.93 142.8 49.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.572 -0.705 . . . . 0.0 109.414 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -57.33 -17.86 14.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -66.54 -49.2 67.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.86 . . . . 0.0 110.092 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 6.6 m -67.87 -36.28 80.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.106 -0.996 . . . . 0.0 109.981 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.082 -1.011 . . . . 0.0 110.845 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 73' ' ' TYR . 6.8 m-85 -64.03 -51.12 65.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.179 -0.951 . . . . 0.0 110.684 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 pp20? -62.2 -15.18 44.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -85.07 -29.07 25.2 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.156 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.73 -50.58 14.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.897 -1.127 . . . . 0.0 110.783 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' NE1' ' SG ' ' A' ' 41' ' ' CYS . 2.7 p-90 -57.36 -38.55 74.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.234 -1.541 . . . . 0.0 108.011 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.567 ' SG ' ' NE1' ' A' ' 40' ' ' TRP . 91.3 m -60.26 -38.07 82.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.135 -0.978 . . . . 0.0 110.421 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.74 -56.88 4.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.985 -1.072 . . . . 0.0 111.177 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 m -52.34 -16.25 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 109.69 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -92.95 14.47 17.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.378 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.482 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 31.1 t -90.85 -151.5 0.25 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.004 -1.06 . . . . 0.0 109.469 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' NZ ' ' CZ ' ' A' ' 47' ' ' TYR . 21.7 pttp -131.8 1.42 3.99 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.539 -0.726 . . . . 0.0 109.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' NZ ' ' A' ' 46' ' ' LYS . 80.7 m-85 -98.34 121.32 40.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.302 -0.874 . . . . 0.0 108.992 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.74 -49.62 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 110.233 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.99 -33.67 39.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.96 -1.087 . . . . 0.0 110.454 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.95 -29.49 68.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.977 -1.077 . . . . 0.0 109.467 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.36 -45.59 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.111 -0.993 . . . . 0.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.533 ' CG ' HH11 ' A' ' 52' ' ' ARG . 3.5 mtt-85 -54.15 -26.22 26.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -86.43 -45.69 10.92 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 108.874 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.63 95.96 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.139 -1.185 . . . . 0.0 110.139 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.01 -40.1 80.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.035 -1.274 . . . . 0.0 108.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.42 -45.94 87.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 25.7 mt -49.9 -42.33 47.82 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.57 -39.33 62.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.921 -1.112 . . . . 0.0 109.72 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -59.32 -37.56 78.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.09 -1.006 . . . . 0.0 109.991 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -68.99 -35.57 76.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 110.12 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.5 -28.96 56.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 111.167 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -51.78 -55.37 30.72 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.785 -1.197 . . . . 0.0 111.808 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -52.63 -37.9 75.35 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.798 0.998 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -99.2 55.02 0.98 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 157.14 27.16 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 m -70.67 -177.94 1.69 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.14 -1.212 . . . . 0.0 109.232 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -75.46 -41.93 54.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.946 -1.096 . . . . 0.0 109.504 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' CD ' HH12 ' A' ' 71' ' ' ARG . 4.4 tm-20 -67.65 -49.76 61.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 108.857 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.2 -31.08 65.11 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.347 -0.846 . . . . 0.0 109.283 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.33 -46.57 82.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.157 -0.964 . . . . 0.0 108.949 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.52 HH12 ' CD ' ' A' ' 68' ' ' GLU . 2.2 mtm-85 -52.33 -30.3 27.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.048 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.48 -51.64 22.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 109.3 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 36' ' ' PHE . 3.0 m-85 -59.49 -29.41 67.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 0.0 109.215 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.77 -41.96 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 108.651 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.3 -49.8 76.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.672 -0.642 . . . . 0.0 110.613 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -62.83 -39.71 95.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.765 -1.21 . . . . 0.0 110.49 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.29 -44.77 95.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.001 -1.062 . . . . 0.0 109.584 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.43 62.27 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.056 -1.027 . . . . 0.0 108.865 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.64 -42.07 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.65 98.53 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -68.34 -29.44 68.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.247 . . . . 0.0 109.438 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.19 -29.65 69.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -72.66 -47.71 45.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.601 ' C ' ' H ' ' A' ' 86' ' ' GLU . 47.7 mt -71.8 31.6 0.05 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.979 -1.076 . . . . 0.0 110.064 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' A' ' 83' ' ' ARG . 58.8 mttt 61.77 -16.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.307 -0.87 . . . . 0.0 110.633 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -57.74 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.741 -1.225 . . . . 0.0 108.498 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' LYS . 49.5 m-85 -82.46 -37.56 25.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 110.205 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.63 -51.51 34.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.865 -1.147 . . . . 0.0 110.467 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.79 -37.68 82.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.093 -1.004 . . . . 0.0 110.231 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.67 94.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.843 -1.161 . . . . 0.0 109.873 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ARG . 65.2 mt -70.01 -18.62 63.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.09 -40.02 90.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -31.91 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 109.776 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LEU . 17.8 mmm-85 -68.75 -48.61 63.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.613 -1.304 . . . . 0.0 109.731 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.72 -29.63 75.02 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.206 -1.557 . . . . 0.0 109.206 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.492 ' O ' ' OG1' ' A' ' 100' ' ' THR . 25.7 tp -59.6 -39.69 85.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.504 -0.998 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.85 -28.09 58.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.829 -1.17 . . . . 0.0 110.15 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.59 -28.58 63.75 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 72.4 p -86.87 -50.88 6.41 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.713 -0.617 . . . . 0.0 109.587 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -130.8 77.35 75.66 Favored Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.701 -0.625 . . . . 0.0 110.212 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.48 -8.61 21.35 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.405 1.403 . . . . 0.0 109.793 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -89.09 -6.84 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.89 105.13 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.167 -0.958 . . . . 0.0 109.563 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.7 -36.51 78.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -0.891 . . . . 0.0 109.661 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -56.88 -49.22 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.457 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.92 75.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 109.337 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.58 -40.19 95.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 0.0 109.171 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.62 -51.84 67.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.363 -0.836 . . . . 0.0 109.422 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.67 -37.84 59.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.53 -0.731 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.04 -38.89 92.33 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.039 -1.038 . . . . 0.0 109.102 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -54.81 -51.67 65.07 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.334 -0.853 . . . . 0.0 109.618 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.2 -44.01 87.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.0 -34.57 64.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.51 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.02 -49.49 19.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -55.81 -51.46 67.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.83 78.21 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.6 ttm -49.0 -48.38 43.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.529 -0.732 . . . . 0.0 110.345 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.63 -29.17 61.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.542 -1.349 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' GLY . 84.0 tttt -53.31 -46.74 69.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.383 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -68.34 48.95 0.06 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.851 . . . . 0.0 109.299 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -69.67 122.47 12.11 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 122' ' ' GLY . 44.5 mt -54.68 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.219 -1.165 . . . . 0.0 108.373 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.522 ' O ' ' SD ' ' A' ' 126' ' ' MET . 0.2 OUTLIER -111.64 134.02 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 126' ' ' MET . . . -87.44 -31.64 15.76 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 120.312 -0.947 . . . . 0.0 110.832 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.522 ' SD ' ' O ' ' A' ' 124' ' ' VAL . 0.0 OUTLIER 33.38 -138.39 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 118.094 0.947 . . . . 0.0 110.645 -179.007 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.71 131.06 45.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.961 -1.087 . . . . 0.0 108.863 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 96.1 mt -117.19 155.96 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.598 -0.689 . . . . 0.0 109.268 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.8 t -148.0 -34.44 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.206 -0.934 . . . . 0.0 109.401 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 177.28 77.77 0.05 OUTLIER Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.02 -161.45 5.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 56.7 mtt -63.17 156.35 25.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.271 -1.135 . . . . 0.0 109.451 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.483 ' C ' ' H ' ' A' ' 135' ' ' GLY . . . -168.87 127.54 1.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.347 -0.846 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' GLY . 14.2 mt -76.31 35.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.182 -0.949 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 133' ' ' ALA . . . 57.06 106.81 0.01 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.53 -17.01 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.23 -1.159 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 139' ' ' LEU . . . -82.42 43.84 0.84 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 109.43 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.41 43.5 1.32 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.43 ' H ' ' C ' ' A' ' 137' ' ' ALA . 17.5 mt -68.37 -75.66 0.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -1.162 . . . . 0.0 109.442 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.85 -167.59 2.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.301 -0.875 . . . . 0.0 109.207 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 171.03 48.67 0.04 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.4 mp -105.16 -61.21 1.51 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.397 -1.061 . . . . 0.0 109.198 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 15.9 tt -76.43 -12.8 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.66 105.26 0.71 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 145' ' ' LEU . 2.9 mm? -64.12 102.03 0.46 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.267 -1.137 . . . . 0.0 109.193 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 20.8 mp0 -46.82 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.335 -0.853 . . . . 0.0 109.663 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -167.18 149.87 6.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.894 . . . . 0.0 109.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -76.84 -86.25 0.05 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 0.0 109.42 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.653 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 17.2 t-160 -170.04 -125.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.408 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.653 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -166.5 -60.0 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 109.428 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 150' ' ' HIS . 51.8 t-80 52.88 97.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.456 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.485 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.2 mpt? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -170.27 49.16 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.432 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -171.82 128.98 0.64 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' ALA . 95.9 t 51.63 98.91 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.9 mm? -81.97 123.22 28.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -0.953 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -169.17 146.86 3.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.53 146.74 53.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 109.497 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.98 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.649 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 t -77.17 122.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.762 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 m -64.54 135.26 55.82 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.939 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.68 -25.81 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.193 -0.942 . . . . 0.0 109.17 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 16' ' ' LYS . 42.7 mt-10 -68.6 -45.97 70.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.12 -0.988 . . . . 0.0 109.49 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.73 -43.04 99.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.222 -0.924 . . . . 0.0 110.742 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -44.31 66.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.87 -1.144 . . . . 0.0 109.913 -179.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -78.38 -30.35 47.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.717 -1.24 . . . . 0.0 110.156 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' GLU . 34.5 ttpt -55.13 -55.16 34.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.884 -1.135 . . . . 0.0 109.236 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.9 -24.53 63.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 108.808 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -72.22 -33.83 67.88 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -47.25 76.62 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -61.04 -47.84 84.52 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.095 -1.003 . . . . 0.0 109.069 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.76 -32.49 52.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.253 -0.904 . . . . 0.0 109.564 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -72.67 -52.09 16.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.28 -0.888 . . . . 0.0 109.625 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 24' ' ' GLU . 12.0 p -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.808 -1.182 . . . . 0.0 109.791 -179.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.61 ' N ' ' HG ' ' A' ' 23' ' ' SER . 42.2 mt-10 -58.82 -43.55 90.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 0.0 109.124 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -69.7 -40.01 76.56 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.187 -0.946 . . . . 0.0 108.906 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.82 68.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -14.41 26.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.72 16.93 53.87 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.0 m -156.07 123.71 5.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.426 -1.044 . . . . 0.0 109.489 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -107.26 122.39 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.747 . . . . 0.0 109.543 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.5 p -70.57 137.75 50.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -58.82 -18.61 33.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.371 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -64.63 -48.62 74.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.627 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' TYR . 21.7 m -71.64 -39.62 70.24 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.135 -0.978 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.94 -39.04 65.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 109.369 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.2 m-85 -74.08 -50.1 21.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.234 -0.916 . . . . 0.0 109.888 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.17 -16.72 62.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 109.009 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.523 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 10.6 t80 -78.86 -31.66 45.68 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.11 -38.88 63.71 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.213 -0.929 . . . . 0.0 108.86 179.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.477 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.19 -54.13 40.4 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 38' ' ' TYR . 11.3 p -53.73 -39.09 64.99 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.725 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' N ' ' SG ' ' A' ' 41' ' ' CYS . 16.2 mt -78.17 -36.81 47.07 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 110.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -49.7 -22.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 45' ' ' SER . 44.2 mtp180 -94.41 -105.63 0.14 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.601 ' C ' ' H ' ' A' ' 47' ' ' TYR . 8.7 t 57.94 124.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.532 -0.73 . . . . 0.0 110.285 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -64.08 3.97 0.37 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.601 ' H ' ' C ' ' A' ' 45' ' ' SER . 77.9 m-85 -110.57 138.09 47.42 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.549 -0.72 . . . . 0.0 109.457 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -71.91 -48.29 46.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.925 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -52.45 -33.75 45.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.864 -1.148 . . . . 0.0 110.557 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.25 -29.17 69.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 109.082 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.9 mt -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.117 -0.989 . . . . 0.0 108.788 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -50.69 -52.95 35.31 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -51.72 -44.31 63.18 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.78 -42.92 59.95 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 HG23 HD11 ' A' ' 55' ' ' ILE . 10.8 mm -59.81 -54.45 34.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 120.903 -1.351 . . . . 0.0 108.83 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.53 -51.89 64.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.542 0.687 . . . . 0.0 109.199 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 mt -48.67 -48.11 40.21 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.544 -0.722 . . . . 0.0 109.672 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.21 -45.04 35.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.858 -1.151 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -55.97 -31.66 63.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.814 -1.179 . . . . 0.0 110.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -73.51 -37.33 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -0.996 . . . . 0.0 110.006 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.25 -29.46 57.5 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.084 -1.01 . . . . 0.0 111.16 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.8 mp -50.5 -55.75 23.78 Favored Pre-proline 0 N--CA 1.486 1.342 0 O-C-N 120.629 -1.294 . . . . 0.0 110.856 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.3 Cg_exo -53.51 -25.55 32.87 Favored 'Trans proline' 0 C--N 1.321 -0.881 0 N-CA-C 109.964 -0.821 . . . . 0.0 109.964 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -99.11 33.05 2.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.274 -0.891 . . . . 0.0 109.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 156.85 23.28 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -79.85 -168.13 1.5 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -1.133 . . . . 0.0 109.294 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -73.84 -39.02 64.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.076 -1.015 . . . . 0.0 109.737 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -72.77 -41.57 64.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 108.793 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.88 -35.42 76.57 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.637 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.46 -40.63 85.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.1 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 12.2 ttp180 -51.87 -34.77 42.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.927 . . . . 0.0 108.712 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -76.85 -51.33 11.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.003 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.517 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.7 m-85 -62.76 -40.16 96.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 0.0 109.851 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.08 -36.79 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.015 -1.053 . . . . 0.0 108.628 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -59.42 -45.0 92.77 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.647 -0.658 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -70.0 -37.27 75.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.956 -1.09 . . . . 0.0 110.289 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.05 -44.94 94.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.049 . . . . 0.0 109.145 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.74 -34.95 71.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.152 -0.968 . . . . 0.0 108.995 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.54 -38.69 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.43 -44.79 63.09 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -66.05 -28.97 69.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 0.0 109.066 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -68.64 -30.35 69.03 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.873 . . . . 0.0 109.121 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.534 ' C ' ' H ' ' A' ' 85' ' ' LYS . 8.7 tpm_? -68.68 -43.21 76.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.63 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' A' ' 86' ' ' GLU . 54.9 mt -71.79 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.243 -0.911 . . . . 0.0 110.025 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.9 mttm 59.46 -1.97 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.899 . . . . 0.0 110.312 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -72.84 93.82 1.74 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.896 -1.127 . . . . 0.0 108.913 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -84.97 -36.9 21.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.508 -0.745 . . . . 0.0 109.961 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 20.6 mp0 -67.15 -39.76 86.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 110.588 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -76.68 -46.24 26.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.11 67.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.8 -52.09 63.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 108.59 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -44.18 -34.31 1.81 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.67 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -76.33 -48.93 18.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.999 -1.063 . . . . 0.0 108.784 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -28.36 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.458 -0.776 . . . . 0.0 110.071 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.02 -47.47 71.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.691 -1.256 . . . . 0.0 109.603 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.63 -28.6 72.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' A' ' 100' ' ' THR . 30.0 tp -59.68 -37.21 78.17 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.498 -1.001 . . . . 0.0 108.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -76.77 -33.3 58.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.782 -1.199 . . . . 0.0 109.557 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -53.43 -26.16 18.83 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 80.2 p -86.52 -50.96 6.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 56.7 mt-10 -132.47 79.34 65.47 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.721 -0.612 . . . . 0.0 109.831 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.4 -16.61 48.39 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.16 1.24 . . . . 0.0 109.682 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -81.86 1.6 34.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -79.82 103.01 9.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.072 -1.018 . . . . 0.0 109.698 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.23 -35.29 68.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.886 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.21 -35.79 67.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.15 -0.969 . . . . 0.0 109.314 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.77 -28.07 58.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.121 -0.987 . . . . 0.0 109.105 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -71.48 -50.14 34.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 109.837 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -32.33 67.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.014 -1.054 . . . . 0.0 109.312 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.14 -43.29 99.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 108.894 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -54.27 -38.51 65.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -62.01 -50.99 69.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 110.404 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.56 -49.17 73.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.011 -1.056 . . . . 0.0 109.228 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 51.9 mt -67.33 -40.9 85.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.415 -0.803 . . . . 0.0 109.255 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.08 -46.2 68.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.853 . . . . 0.0 109.517 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -56.35 -51.8 66.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.22 -0.925 . . . . 0.0 109.472 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.01 77.8 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.12 -1.032 . . . . 0.0 108.233 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.8 ttm -46.48 -40.39 12.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.466 -0.771 . . . . 0.0 110.312 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 121' ' ' ASP . 57.0 mttm -72.72 -23.87 60.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.672 -1.267 . . . . 0.0 110.336 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' A' ' 122' ' ' GLY . 23.2 pttt -63.79 0.85 0.73 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.867 -1.146 . . . . 0.0 109.286 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 119' ' ' LYS . 15.0 p-10 -59.78 1.29 0.1 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 109.829 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.553 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 74.37 -156.13 49.57 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.3 mt 52.93 105.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.569 -0.959 . . . . 0.0 109.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 126' ' ' MET . 12.4 p -140.8 164.2 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.542 -0.724 . . . . 0.0 109.657 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.51 0.43 0.88 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.519 ' H ' ' C ' ' A' ' 124' ' ' VAL . 73.3 mmm -67.62 -134.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -1.166 . . . . 0.0 109.186 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.13 130.83 43.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.162 -0.962 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.52 135.13 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-O 121.672 0.748 . . . . 0.0 109.074 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 37.5 t -123.21 109.03 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 179.23 -100.12 0.13 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.73 65.25 3.95 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 46.6 ttp -67.96 118.77 11.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -1.155 . . . . 0.0 109.468 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -172.64 159.81 4.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.903 . . . . 0.0 109.441 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.97 127.42 32.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.467 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' VAL . . . -73.14 -143.0 0.56 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 138' ' ' GLY . 31.4 m 35.27 42.34 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.954 -0.733 . . . . 0.0 110.846 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 62.16 -73.38 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.387 -0.821 . . . . 0.0 109.665 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 136' ' ' VAL . . . 86.26 -44.79 3.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.14 -37.12 80.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -1.122 . . . . 0.0 109.503 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.95 123.14 22.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.479 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -73.58 85.02 0.64 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.67 -71.55 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -1.156 . . . . 0.0 109.371 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 16.5 tt -69.51 -31.15 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.19 172.12 18.0 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 147' ' ' HIS . 6.3 mp -77.84 102.45 7.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -1.146 . . . . 0.0 109.246 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -51.11 90.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.882 . . . . 0.0 109.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 1.8 p80 -53.55 99.73 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.902 . . . . 0.0 109.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -171.25 -48.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.939 . . . . 0.0 109.49 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -62.26 131.12 48.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.449 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -66.22 135.09 53.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.279 -0.888 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.07 -10.1 27.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.451 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -163.83 -42.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.381 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.76 97.5 0.55 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.0 109.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m -92.17 66.48 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.413 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.9 mt -69.95 177.7 3.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLU . 17.2 p-10 -169.0 162.95 11.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -0.916 . . . . 0.0 109.412 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' ASN . 34.9 tt0 60.2 147.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.86 -77.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.173 -0.955 . . . . 0.0 109.674 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.5 t -84.34 142.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.87 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -76.19 130.26 37.97 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.51 -24.62 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.179 -0.951 . . . . 0.0 108.892 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.53 ' OE2' ' N ' ' A' ' 12' ' ' GLU . 1.7 mp0 -66.78 -45.84 77.2 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.285 -0.885 . . . . 0.0 109.008 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.93 -35.86 80.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.284 -0.885 . . . . 0.0 110.117 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -49.46 57.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LYS . 60.9 mt -78.33 -31.81 48.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 110.518 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.8 ttpt -54.12 -53.23 56.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.017 -1.052 . . . . 0.0 110.065 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -74.87 -26.95 60.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.986 -1.071 . . . . 0.0 109.638 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.71 -32.42 62.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.8 -48.02 76.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -61.22 -47.81 84.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.242 -0.911 . . . . 0.0 109.033 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -52.95 -35.05 58.27 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.193 -0.942 . . . . 0.0 109.447 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.35 -52.47 13.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.267 -0.895 . . . . 0.0 109.766 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -61.17 -49.39 77.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.853 -1.155 . . . . 0.0 109.591 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 59.4 mt-10 -58.21 -51.2 70.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.209 -0.932 . . . . 0.0 109.088 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 72.8 tttt -59.0 -40.32 84.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.069 -1.019 . . . . 0.0 108.994 179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.68 66.99 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.62 47.97 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 98.87 9.89 51.05 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.0 t -152.56 158.32 42.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.6 t -140.57 128.36 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.281 -0.887 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.1 p -70.52 139.48 51.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.435 -0.791 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -57.74 -18.2 19.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.407 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -66.55 -48.43 69.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -64.59 -41.78 96.02 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.192 -0.942 . . . . 0.0 109.722 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -56.95 -42.17 79.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.092 -1.005 . . . . 0.0 109.233 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.2 m-85 -71.66 -50.06 34.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.239 -0.913 . . . . 0.0 109.796 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 38.7 mt-10 -71.82 -15.39 62.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.079 -1.013 . . . . 0.0 109.927 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -77.75 -35.34 51.88 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.839 -1.163 . . . . 0.0 108.794 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.45 -37.92 65.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.387 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.619 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.44 -53.15 59.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.975 -1.078 . . . . 0.0 108.441 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 4.1 m -53.83 -39.45 65.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 ' O ' ' OG ' ' A' ' 45' ' ' SER . 16.7 mt -77.75 -45.28 25.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 110.127 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.6 t -54.17 -24.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.074 -1.016 . . . . 0.0 109.905 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.619 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 30.2 ttm180 -97.23 22.44 8.63 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.535 -0.728 . . . . 0.0 109.319 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 67.2 p -94.33 151.54 19.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.958 -1.088 . . . . 0.0 109.352 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -78.81 -4.31 48.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -92.93 138.17 31.72 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -0.912 . . . . 0.0 109.054 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.623 ' H ' HD21 ' A' ' 48' ' ' ASN . 0.8 OUTLIER -71.05 -48.98 49.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.782 -178.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -52.3 -36.67 53.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.889 -1.132 . . . . 0.0 110.724 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.19 -32.1 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.972 -1.08 . . . . 0.0 109.366 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -78.48 -39.61 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.927 -1.108 . . . . 0.0 108.781 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -52.13 -54.24 32.98 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.36 -40.34 74.37 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.74 -40.59 64.26 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.63 -56.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 O-C-N 120.762 -1.434 . . . . 0.0 108.962 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 25.3 t -51.63 -51.4 26.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.5 mt -47.96 -49.85 29.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -44.17 43.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.896 -1.128 . . . . 0.0 109.996 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -51.99 -39.95 60.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.996 -1.065 . . . . 0.0 110.224 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 56' ' ' VAL . 1.4 mp0 -72.95 -31.55 64.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.91 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.0 mt -75.35 -30.54 60.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.95 -1.094 . . . . 0.0 111.041 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.413 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -52.38 -55.7 29.32 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 120.73 -1.231 . . . . 0.0 111.25 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.2 Cg_endo -55.43 -28.32 63.15 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 CA-C-N 119.466 0.845 . . . . 0.0 110.262 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -96.42 35.15 1.51 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.167 -0.958 . . . . 0.0 109.845 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.38 -135.37 3.74 Favored Glycine 0 N--CA 1.5 2.931 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 p -147.36 -169.51 3.33 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.329 -1.1 . . . . 0.0 108.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -75.46 -44.43 44.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -73.88 -47.34 38.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.75 -30.92 64.06 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 108.724 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -52.8 -31.72 40.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.65 -52.82 8.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 109.663 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.2 m-85 -60.24 -38.29 82.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.068 -1.02 . . . . 0.0 108.957 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.83 -37.35 59.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.67 -49.0 79.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.726 -0.609 . . . . 0.0 110.564 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -68.28 -37.03 80.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.722 -1.236 . . . . 0.0 110.158 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.4 -45.07 92.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.99 -1.069 . . . . 0.0 109.436 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.32 72.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.144 -0.973 . . . . 0.0 109.343 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.45 -41.3 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 109.773 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.59 -43.58 91.83 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -67.43 -26.54 66.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 0.0 109.56 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -68.94 -32.76 72.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.357 -0.839 . . . . 0.0 109.392 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 85' ' ' LYS . 34.8 mtt180 -75.3 -45.96 36.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.064 -1.022 . . . . 0.0 109.51 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 86' ' ' GLU . 36.9 mt -65.94 28.59 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 110.522 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.582 ' H ' ' C ' ' A' ' 83' ' ' ARG . 44.3 mttm 55.07 4.41 0.08 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.894 -1.129 . . . . 0.0 109.767 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 84' ' ' LEU . 92.5 mt-10 -82.01 83.72 7.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -0.961 . . . . 0.0 108.989 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -78.95 -37.2 40.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.332 -0.855 . . . . 0.0 109.742 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.65 -50.87 72.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.948 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.15 -42.84 75.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 109.563 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.37 86.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' O ' ' NE ' ' A' ' 95' ' ' ARG . 4.1 mp -70.55 -19.41 62.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.007 . . . . 0.0 109.078 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.65 -37.46 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.981 -1.074 . . . . 0.0 108.441 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -75.89 -37.74 58.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.656 -0.653 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -32.6 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.146 -0.972 . . . . 0.0 110.959 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 91' ' ' LEU . 52.5 mtm180 -71.64 -48.77 45.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.618 -1.301 . . . . 0.0 110.16 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.27 73.59 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' A' ' 100' ' ' THR . 9.5 tp -58.0 -45.74 86.35 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.609 -0.936 . . . . 0.0 108.53 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.34 -35.33 77.62 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.919 -1.113 . . . . 0.0 109.996 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -49.56 -32.95 13.65 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.639 ' HG1' ' H ' ' A' ' 101' ' ' GLU . 75.6 p -76.47 -48.35 19.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.468 -0.77 . . . . 0.0 109.001 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.639 ' H ' ' HG1' ' A' ' 100' ' ' THR . 50.8 mt-10 -131.73 76.01 75.21 Favored Pre-proline 0 N--CA 1.497 1.876 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.6 -19.65 38.19 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.302 1.334 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -79.74 5.8 12.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 0.0 109.663 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -80.23 106.42 12.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.122 -0.986 . . . . 0.0 109.493 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.665 ' H ' HD21 ' A' ' 105' ' ' ASN . 0.6 OUTLIER -74.76 -36.84 62.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.0 109.854 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -56.15 -43.41 78.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 109.818 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.89 76.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.167 -0.958 . . . . 0.0 109.578 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.25 -38.73 92.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.782 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -62.33 -55.1 31.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.137 -0.977 . . . . 0.0 109.427 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.2 -42.7 51.89 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.556 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.019 -1.05 . . . . 0.0 108.959 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.88 -46.06 59.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.374 -0.829 . . . . 0.0 109.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.1 mt -57.22 -46.9 82.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.179 -0.951 . . . . 0.0 109.151 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.26 -51.18 74.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.576 -0.702 . . . . 0.0 109.7 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.49 -37.61 65.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.841 . . . . 0.0 109.905 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.73 -52.71 64.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.044 -1.035 . . . . 0.0 109.915 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.9 75.19 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.0 mtp -49.27 -47.33 46.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.552 -0.717 . . . . 0.0 110.31 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -63.68 -30.25 71.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.678 -1.264 . . . . 0.0 109.281 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 122' ' ' GLY . 51.9 mtpt -79.0 -72.38 0.39 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.367 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -68.29 8.92 0.38 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.336 -0.852 . . . . 0.0 109.522 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -67.26 109.67 3.04 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 120.76 7.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 0.0 109.328 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.422 ' CG2' ' N ' ' A' ' 125' ' ' GLY . 6.2 p -69.55 162.37 3.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.422 ' N ' ' CG2' ' A' ' 124' ' ' VAL . . . -50.32 130.04 29.02 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 125' ' ' GLY . 64.0 mtt -51.97 -96.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -1.16 . . . . 0.0 109.059 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.13 132.61 37.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 109.067 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.4 mm -139.91 158.96 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 131' ' ' GLY . 61.7 t -149.15 110.16 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.27 -0.894 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 74.29 -23.59 1.18 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 84.88 -129.03 9.0 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.1 tpt 54.4 97.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -1.173 . . . . 0.0 109.451 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.04 25.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.185 0.993 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.04 97.77 2.94 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.44 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 179.25 -66.02 0.08 OUTLIER Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.1 -11.45 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -1.127 . . . . 0.0 109.468 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.33 -16.27 63.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 0.0 109.454 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.78 76.78 0.28 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -70.7 -48.59 53.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -1.138 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.5 -94.14 0.15 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 168.36 76.59 0.04 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 144' ' ' GLY . 14.2 mt -70.88 -171.31 0.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.278 -1.131 . . . . 0.0 109.421 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 2.5 pp -68.04 1.23 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 142' ' ' LEU . . . 169.23 163.38 23.17 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -154.59 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -1.162 . . . . 0.0 109.39 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.32 3.46 51.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.857 . . . . 0.0 109.404 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 148' ' ' HIS . 50.3 m-70 51.85 54.9 10.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.437 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 147' ' ' HIS . 2.4 t60 55.31 103.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.441 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -52.79 -56.53 15.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.481 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 151' ' ' HIS . 6.9 t60 -53.38 134.24 40.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 150' ' ' HIS . 48.8 m-70 50.5 -177.63 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.259 -0.9 . . . . 0.0 109.532 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.443 ' HD1' ' C ' ' A' ' 152' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.462 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.249 0.547 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -63.1 137.98 58.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.287 -0.883 . . . . 0.0 108.924 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.07 -27.14 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 109.168 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.06 -46.91 69.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 108.967 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.65 -37.84 88.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.361 -0.837 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -49.3 56.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.1 -1.0 . . . . 0.0 109.524 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.2 -29.89 61.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.919 -1.113 . . . . 0.0 109.423 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -50.83 -53.69 30.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 108.881 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.36 -25.15 64.04 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.153 -0.967 . . . . 0.0 108.744 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.25 -35.82 74.05 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.52 -48.56 71.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -58.76 -48.82 79.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.371 -0.831 . . . . 0.0 108.957 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.78 -34.06 57.88 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -53.17 11.67 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.843 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -58.74 -50.07 75.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.757 -1.214 . . . . 0.0 109.883 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 29' ' ' SER . 69.0 mt-10 -58.25 -51.93 67.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.085 -1.009 . . . . 0.0 108.95 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -58.19 -39.16 78.21 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.0 109.163 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.94 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.26 -14.75 28.56 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.98 10.71 45.23 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -154.55 158.6 40.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.444 -1.033 . . . . 0.0 109.185 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.18 126.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.332 -0.855 . . . . 0.0 109.371 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -70.51 139.75 51.68 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.433 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -56.74 -30.22 63.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.194 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -54.38 -49.43 69.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.3 m -66.49 -39.89 88.96 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -58.38 -38.86 78.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 109.253 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 24.6 m-85 -71.63 -50.37 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.365 -0.835 . . . . 0.0 110.177 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -72.03 -15.01 62.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.134 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.6 t80 -78.82 -34.73 45.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.752 -1.218 . . . . 0.0 109.075 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.02 -38.3 66.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.145 -0.972 . . . . 0.0 109.175 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.656 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.19 -52.44 63.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.092 . . . . 0.0 108.24 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 m -53.51 -39.86 64.95 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.554 -0.716 . . . . 0.0 109.688 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 13.3 mt -77.44 -43.65 31.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.054 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' ALA . 89.0 t -53.84 -20.12 3.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 O-C-N 120.964 -1.085 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 36.8 mtm180 -112.0 29.17 8.1 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 p -83.42 159.33 21.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 0.0 109.651 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -79.96 -6.69 57.99 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.377 -0.827 . . . . 0.0 109.102 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -106.2 142.2 36.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -71.22 -48.63 50.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.918 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -51.8 -31.32 26.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.923 -1.111 . . . . 0.0 110.525 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.79 -29.84 70.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.096 . . . . 0.0 108.861 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -78.59 -40.62 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.898 . . . . 0.0 108.579 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.0 mtt180 -54.55 -31.4 56.48 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -83.82 -40.88 18.15 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.92 79.0 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.15 -42.03 58.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.266 -1.137 . . . . 0.0 108.99 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.9 t -64.9 -45.0 96.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.55 -50.08 43.56 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.631 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.6 mt -71.31 -41.41 69.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.65 -41.7 55.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.019 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.42 -28.71 62.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 mt -76.3 -31.13 58.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.171 -0.955 . . . . 0.0 110.829 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 5.6 mp -52.43 -55.77 28.82 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.709 -1.245 . . . . 0.0 111.063 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -58.06 -25.55 71.29 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -85.36 -13.32 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.386 -0.821 . . . . 0.0 110.188 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.56 157.05 19.4 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.473 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 14.1 m -70.63 -165.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -1.092 . . . . 0.0 109.177 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -74.41 -37.94 63.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.028 -1.045 . . . . 0.0 109.736 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -71.85 -48.96 42.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.09 -30.53 62.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 109.035 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 66' ' ' SER . 41.1 mt-30 -72.34 -40.27 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.184 -0.948 . . . . 0.0 109.115 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 53.7 mtm180 -51.67 -34.2 37.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.39 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.44 -51.87 10.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.085 -1.009 . . . . 0.0 109.536 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.2 m-85 -63.1 -35.6 80.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 109.392 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 70' ' ' GLN . 26.2 t -58.59 -40.19 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 108.468 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.43 -43.21 93.15 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.792 -0.568 . . . . 0.0 110.587 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.804 -1.185 . . . . 0.0 110.417 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.54 -44.71 95.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 109.871 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.57 -33.27 73.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.2 t -75.75 -37.26 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.98 . . . . 0.0 110.063 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.24 -42.72 65.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -76.38 -29.6 57.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.159 -1.201 . . . . 0.0 109.547 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.83 -44.0 86.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.53 ' C ' ' H ' ' A' ' 85' ' ' LYS . 15.9 ptm180 -75.16 -36.38 61.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 110.445 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' GLU . 95.0 mt -67.52 32.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.721 -1.237 . . . . 0.0 110.46 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 83' ' ' ARG . 74.3 tttt 64.91 -37.56 0.22 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.224 -0.923 . . . . 0.0 110.338 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.5 95.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.738 -1.226 . . . . 0.0 108.687 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' LYS . 65.0 m-85 -84.15 -41.84 16.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 0.0 110.557 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -43.78 75.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.925 . . . . 0.0 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -54.11 -49.41 69.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.947 -1.096 . . . . 0.0 109.133 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.66 67.74 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 91' ' ' LEU . 14.3 tp -70.19 -23.9 63.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.499 -0.751 . . . . 0.0 109.637 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -77.61 -35.69 52.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -74.79 -39.87 61.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.652 -0.655 . . . . 0.0 109.644 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.28 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 110.278 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -72.46 -48.11 43.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.611 -1.306 . . . . 0.0 109.615 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.7 78.63 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.0 tp -58.73 -37.32 75.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.621 -0.929 . . . . 0.0 108.776 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 107' ' ' ALA . 78.9 mt -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.738 -1.226 . . . . 0.0 109.402 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -53.32 -24.3 11.52 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 35.6 p -95.33 -48.3 5.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 45.3 mt-10 -129.49 77.94 76.43 Favored Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.87 -0.519 . . . . 0.0 110.166 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.08 -25.58 65.94 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.341 1.361 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.7 3.42 5.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -82.47 105.43 13.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.139 -0.976 . . . . 0.0 109.513 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -73.39 -42.59 61.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.94 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -56.46 -29.36 61.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.22 -27.72 42.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 109.019 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -74.96 -50.28 17.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.845 . . . . 0.0 109.72 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.46 -37.99 73.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 109.296 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.75 -40.79 98.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.052 -1.03 . . . . 0.0 108.702 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.01 -34.47 70.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.087 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' LYS . 94.2 mtt180 -63.31 -49.25 74.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.492 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.01 -51.71 68.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.227 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -57.02 -53.01 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.342 -0.849 . . . . 0.0 110.004 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.45 -37.56 74.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.215 -0.928 . . . . 0.0 109.918 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 112' ' ' ARG . 50.1 tttm -68.77 -39.79 80.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.181 -0.949 . . . . 0.0 110.087 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.14 70.78 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.947 -1.095 . . . . 0.0 108.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 31.5 mtm -51.19 -40.8 59.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.223 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.511 0 O-C-N 120.587 -1.321 . . . . 0.0 109.195 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 t -79.02 140.6 37.92 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.237 -0.914 . . . . 0.0 108.907 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.14 -23.58 13.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.83 -45.84 66.95 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.427 ' HA ' ' HZ3' ' A' ' 16' ' ' LYS . 6.2 m-20 -65.94 -49.31 68.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.4 -0.813 . . . . 0.0 110.418 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.21 90.49 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.966 -1.084 . . . . 0.0 109.954 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.12 -33.92 59.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.79 -1.194 . . . . 0.0 109.486 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.74 -44.44 77.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.863 -1.148 . . . . 0.0 108.257 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.1 m-85 -71.86 -28.97 63.89 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.49 -36.93 71.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -55.9 -43.29 77.13 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.0 -48.76 64.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.245 -0.91 . . . . 0.0 108.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.58 -42.53 71.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.313 -0.867 . . . . 0.0 108.886 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.35 -50.4 32.62 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.486 -0.759 . . . . 0.0 109.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.4 m -61.11 -40.77 95.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.797 -1.189 . . . . 0.0 109.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.54 -46.75 83.51 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.477 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -57.16 -41.24 78.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.004 -1.06 . . . . 0.0 108.78 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.36 72.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -17.62 18.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.69 13.92 57.46 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 108.931 -1.667 . . . . 0.0 108.931 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 m -157.79 154.78 28.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.04 . . . . 0.0 109.638 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.88 128.47 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.458 -0.776 . . . . 0.0 109.581 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.71 146.91 30.83 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -58.86 -25.77 63.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.509 -0.744 . . . . 0.0 109.525 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -49.79 75.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.353 -0.842 . . . . 0.0 110.319 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -65.47 -43.92 88.79 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.989 -1.069 . . . . 0.0 109.677 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.658 ' HB3' HD11 ' A' ' 61' ' ' LEU . 41.5 mt-30 -52.16 -43.31 64.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 49.4 m-85 -71.09 -49.18 47.24 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 109.763 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 61.4 mt-10 -58.71 -30.47 67.46 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.677 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.532 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.7 t80 -88.31 -27.35 21.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.134 -0.978 . . . . 0.0 110.391 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.43 15.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.785 -1.197 . . . . 0.0 109.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 6.9 p-90 -59.53 -37.28 77.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.698 -1.252 . . . . 0.0 108.548 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 55.1 m -55.59 -34.27 64.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.786 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 14.1 mt -79.46 -58.62 3.11 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.046 -1.034 . . . . 0.0 111.919 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 m -54.84 -17.52 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.861 -1.149 . . . . 0.0 110.187 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -94.58 21.18 7.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 109.264 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -101.49 -162.82 0.96 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.211 -0.931 . . . . 0.0 109.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -121.47 0.64 10.01 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -95.22 116.44 28.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.302 -0.873 . . . . 0.0 109.125 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -51.4 -49.03 62.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 110.133 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -51.53 -31.77 25.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.974 -1.079 . . . . 0.0 110.338 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.53 -30.59 63.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.969 -1.082 . . . . 0.0 109.463 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.12 -45.46 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.945 -1.097 . . . . 0.0 108.903 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -54.27 -54.13 44.29 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -68.15 -34.76 76.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.509 -0.744 . . . . 0.0 109.054 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.36 95.57 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.75 -39.76 84.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 120.988 -1.301 . . . . 0.0 108.835 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.55 -45.64 96.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.33 -45.85 46.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.772 -0.58 . . . . 0.0 109.975 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -41.37 60.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.721 -1.237 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -52.0 -41.86 62.53 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 110.211 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -73.03 -30.08 63.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.134 -0.978 . . . . 0.0 109.789 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 35' ' ' GLN . 83.0 mt -75.0 -30.52 61.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 110.939 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -53.02 -56.38 24.27 Favored Pre-proline 0 N--CA 1.486 1.338 0 O-C-N 120.793 -1.192 . . . . 0.0 111.202 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.5 Cg_endo -58.92 -31.27 95.18 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.651 0.901 . . . . 0.0 110.203 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -76.17 -20.67 57.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.109 -0.994 . . . . 0.0 110.193 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.05 156.27 21.3 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.9 p -64.8 -166.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -1.194 . . . . 0.0 109.171 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -74.54 -35.92 63.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.979 -1.075 . . . . 0.0 109.065 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 71' ' ' ARG . 13.6 tp10 -71.33 -47.39 56.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.128 -0.983 . . . . 0.0 108.887 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 52.0 mt-10 -56.12 -28.25 57.11 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.39 -0.819 . . . . 0.0 109.173 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -72.03 -45.75 59.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.277 -0.889 . . . . 0.0 109.456 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.54 ' NH1' ' CG ' ' A' ' 101' ' ' GLU . 33.1 mtm180 -51.26 -33.49 28.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.107 -0.995 . . . . 0.0 109.767 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.54 -51.54 16.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.925 -1.109 . . . . 0.0 109.237 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.8 m-85 -62.6 -29.52 70.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 0.0 109.051 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.65 -42.86 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -58.85 -45.02 91.1 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.85 -0.531 . . . . 0.0 110.217 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -65.83 -39.76 91.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.735 -1.228 . . . . 0.0 109.799 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.28 -45.13 94.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 109.497 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.53 63.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.111 -0.993 . . . . 0.0 109.043 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.2 -42.33 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.38 -0.825 . . . . 0.0 109.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.04 -41.52 95.11 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -68.78 -29.54 67.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.088 -1.242 . . . . 0.0 109.475 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.34 -30.04 70.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 108.917 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 85' ' ' LYS . 21.5 mmt180 -70.64 -45.33 65.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.28 -0.887 . . . . 0.0 109.775 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 86' ' ' GLU . 80.4 mt -70.91 29.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 83' ' ' ARG . 35.3 mttp 55.52 2.59 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 110.094 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 84' ' ' LEU . 55.7 mt-10 -74.16 92.34 2.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.947 -1.096 . . . . 0.0 108.97 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -83.74 -31.62 25.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.914 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -72.54 -48.73 37.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.747 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -66.99 -40.67 87.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.182 -0.949 . . . . 0.0 109.919 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.05 74.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.953 -1.092 . . . . 0.0 109.438 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 114' ' ' ILE . 3.8 mp -76.01 -18.35 59.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.234 -0.916 . . . . 0.0 109.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.17 -36.8 69.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.453 -1.405 . . . . 0.0 107.579 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -77.93 -43.68 29.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.8 -0.562 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.23 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.239 -0.913 . . . . 0.0 110.844 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 20.9 mmm180 -70.05 -45.66 66.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.25 -1.531 . . . . 0.0 109.241 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.88 73.38 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 100' ' ' THR . 20.0 tp -59.67 -39.4 84.35 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.496 -1.002 . . . . 0.0 108.964 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 107' ' ' ALA . 62.3 mt -75.7 -38.47 58.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.117 . . . . 0.0 109.612 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -52.28 -24.2 7.02 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 17.3 p -96.99 -43.51 7.41 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' CG ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -131.4 76.75 75.09 Favored Pre-proline 0 N--CA 1.501 2.096 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -9.85 26.58 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.47 1.447 . . . . 0.0 109.571 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.92 -6.5 58.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -74.87 97.94 3.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.013 -1.054 . . . . 0.0 109.742 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.42 -41.39 84.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.672 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -56.8 -28.09 60.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.94 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -30.24 48.05 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.109 -0.994 . . . . 0.0 109.086 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.12 -51.22 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.873 . . . . 0.0 109.726 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.0 -32.43 67.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.143 -0.973 . . . . 0.0 109.086 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.36 -42.86 99.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 108.697 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.98 -36.22 82.81 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.821 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -55.53 -45.63 77.15 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.438 -0.789 . . . . 0.0 109.637 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -57.49 -42.93 83.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 91' ' ' LEU . 74.2 mt -71.59 -49.78 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.86 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.57 -49.37 70.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 110.072 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -56.91 -48.38 78.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.101 -0.999 . . . . 0.0 110.258 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.12 77.33 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.056 -1.028 . . . . 0.0 108.484 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 23.5 mtp -47.78 -47.47 30.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.641 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 N--CA 1.492 1.666 0 O-C-N 120.53 -1.356 . . . . 0.0 109.08 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.427 ' OG ' ' OD1' ' A' ' 13' ' ' ASP . 88.1 p -64.91 134.02 53.09 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.222 -0.924 . . . . 0.0 108.883 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.66 -25.36 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.137 -0.977 . . . . 0.0 109.026 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 38.0 mm-40 -70.71 -47.76 58.09 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.09 -1.007 . . . . 0.0 109.012 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.8 m-20 -67.96 -33.74 75.24 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.202 -0.936 . . . . 0.0 109.546 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.1 tm? -72.44 -49.47 33.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.138 -0.976 . . . . 0.0 109.328 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LYS . 89.8 mt -76.62 -28.52 56.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.891 -1.131 . . . . 0.0 110.233 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -58.72 -46.36 87.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.835 -1.166 . . . . 0.0 109.365 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.06 -28.96 62.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.759 -1.213 . . . . 0.0 108.614 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.42 -31.27 57.81 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . 17.9 tptm -55.63 -47.82 75.96 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' OG1' ' A' ' 34' ' ' THR . 3.7 mtmp? -60.6 -43.63 97.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.019 -1.05 . . . . 0.0 108.859 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.95 -34.56 56.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.321 -0.862 . . . . 0.0 109.507 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -73.79 -53.41 10.33 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -57.59 -49.77 75.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.787 -1.196 . . . . 0.0 109.892 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 81.6 mt-10 -57.8 -51.73 68.37 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.156 -0.965 . . . . 0.0 108.73 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -57.47 -40.86 79.47 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.2 -0.938 . . . . 0.0 109.055 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.94 70.52 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.76 -15.37 28.77 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.65 10.68 49.59 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -150.41 158.9 44.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.442 -1.034 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -139.69 126.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -81.41 140.44 34.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -56.32 -27.29 55.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.513 -0.742 . . . . 0.0 109.257 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.7 p -54.3 -43.29 70.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.897 . . . . 0.0 109.701 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.527 ' OG1' ' NZ ' ' A' ' 20' ' ' LYS . 52.7 m -82.61 -48.2 11.23 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.171 -0.956 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -53.1 -46.31 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.152 -0.967 . . . . 0.0 109.328 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t80 -71.06 -48.68 51.32 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.514 -0.741 . . . . 0.0 110.071 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -71.38 -14.6 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.476 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -77.05 -35.99 56.38 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.273 -0.892 . . . . 0.0 108.865 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.16 -39.74 71.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.185 -0.947 . . . . 0.0 109.098 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.14 -48.32 68.02 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.68 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.49 -41.71 69.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.712 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.476 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.6 mt -78.59 -39.7 36.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.107 -0.996 . . . . 0.0 110.948 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 39' ' ' ALA . 87.2 t -52.72 -23.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.878 -1.139 . . . . 0.0 109.536 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.3 OUTLIER -101.88 22.69 12.57 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.2 t -82.92 165.49 19.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.036 -1.04 . . . . 0.0 109.635 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -90.38 1.16 56.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.253 -0.904 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -108.93 145.18 35.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.436 -0.79 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -70.71 -48.24 55.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.911 . . . . 0.0 110.223 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 36.4 p-10 -52.05 -34.76 44.85 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.99 -1.069 . . . . 0.0 110.56 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 6.0 m-20 -68.0 -32.71 73.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.87 -1.144 . . . . 0.0 109.14 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.8 mt -78.48 -45.04 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.83 -1.169 . . . . 0.0 108.562 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -53.99 -54.33 40.61 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -55.32 -47.9 74.96 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.12 -36.69 91.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.02 -40.01 75.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 121.124 -1.221 . . . . 0.0 108.87 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.26 -47.95 85.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.06 -50.4 36.76 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.76 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -69.17 -42.71 75.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.873 -1.142 . . . . 0.0 110.111 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.72 -37.29 50.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.903 -1.123 . . . . 0.0 109.785 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -74.4 -29.23 61.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 109.734 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.93 -30.79 58.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.263 -0.898 . . . . 0.0 110.819 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -53.57 -55.71 32.26 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 120.758 -1.214 . . . . 0.0 111.1 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -51.73 -28.36 29.82 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 N-CA-C 109.606 -0.959 . . . . 0.0 109.606 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.1 7.14 47.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.859 . . . . 0.0 108.962 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.78 149.41 18.51 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 t -64.52 -175.94 0.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.273 . . . . 0.0 108.661 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -76.08 -46.89 26.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.689 -1.257 . . . . 0.0 109.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.32 -44.48 68.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.94 -32.56 67.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.476 -0.765 . . . . 0.0 109.004 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -69.52 -38.98 77.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.126 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CZ ' ' OE2' ' A' ' 101' ' ' GLU . 39.4 mtm180 -52.55 -39.62 61.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.027 . . . . 0.0 109.254 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.07 -45.18 58.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.049 -1.032 . . . . 0.0 108.491 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 7.3 m-30 -57.25 -40.42 77.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.23 -35.33 48.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.677 -0.639 . . . . 0.0 110.82 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -68.72 -39.32 80.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.522 -1.361 . . . . 0.0 110.197 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.62 -44.65 96.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.104 -0.997 . . . . 0.0 109.764 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.45 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 0.0 109.269 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.76 -39.46 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.12 -42.31 84.54 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -65.7 -27.33 68.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -1.127 . . . . 0.0 109.548 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -74.23 -29.38 61.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.882 . . . . 0.0 108.904 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -67.66 -46.45 72.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 0.0 109.554 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 51.8 mt -69.21 20.69 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.232 -0.918 . . . . 0.0 110.144 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER 65.53 -8.31 0.29 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 109.556 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -67.45 97.66 0.59 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.053 -1.029 . . . . 0.0 109.192 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.36 -36.45 22.49 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 0.0 109.768 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 23.0 mp0 -64.87 -50.12 67.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -0.932 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.68 71.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.0 109.801 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -55.87 -18.57 9.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 108.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -74.48 -41.72 60.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.975 -1.078 . . . . 0.0 108.382 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -75.88 -35.26 59.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.547 -0.72 . . . . 0.0 110.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.09 -33.18 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.109 -0.994 . . . . 0.0 110.337 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.69 -46.59 62.87 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.401 -1.437 . . . . 0.0 109.086 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.01 -28.95 74.08 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.49 ' O ' ' OG1' ' A' ' 100' ' ' THR . 22.2 tp -60.65 -36.97 80.01 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.541 -0.976 . . . . 0.0 108.833 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 107' ' ' ALA . 74.3 mt -75.83 -34.64 60.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.186 . . . . 0.0 109.132 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.85 -24.93 17.41 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 41.5 p -94.48 -48.22 6.21 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' OE2' ' CZ ' ' A' ' 71' ' ' ARG . 48.0 mt-10 -128.44 77.33 77.34 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.792 -0.568 . . . . 0.0 110.056 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.94 -24.54 53.09 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.287 1.325 . . . . 0.0 109.604 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.45 0.4 22.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 0.0 109.62 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 6.7 t-20 -80.84 107.16 13.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -75.23 -38.33 60.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.824 . . . . 0.0 109.896 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.595 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 8.4 mp0 -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.58 -28.37 45.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.085 -1.01 . . . . 0.0 109.107 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.43 -50.85 16.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.79 -31.93 67.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.127 -0.983 . . . . 0.0 109.13 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.61 -42.65 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 108.931 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.39 -28.67 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.586 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -67.04 -42.53 84.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 0.0 109.881 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.23 -46.88 82.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.0 mt -67.99 -52.62 37.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.608 -0.683 . . . . 0.0 109.688 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.79 -44.54 82.0 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.33 -0.856 . . . . 0.0 109.853 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 -52.55 64.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.04 78.29 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 22.3 ttm -49.46 -46.89 48.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.544 -0.722 . . . . 0.0 110.697 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.35 . . . . 0.0 109.204 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 14' ' ' LEU . 23.3 t . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.8 p -59.55 139.54 57.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.213 -0.929 . . . . 0.0 108.916 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.55 -28.05 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 108.982 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 59.6 mt-10 -65.93 -45.72 80.81 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.049 -1.032 . . . . 0.0 109.464 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.61 -45.34 87.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.852 . . . . 0.0 110.581 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 9' ' ' VAL . 4.3 mt -65.03 -44.72 88.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.742 -1.224 . . . . 0.0 109.808 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.46 -33.58 48.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.741 -1.224 . . . . 0.0 110.008 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 29.8 ttpt -56.14 -52.31 64.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.025 -1.047 . . . . 0.0 109.535 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.66 -26.96 60.21 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.167 -0.958 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.24 -36.69 74.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' NZ ' ' OG ' ' A' ' 23' ' ' SER . 3.8 tptp -54.36 -47.94 72.02 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -57.74 -49.58 76.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.204 -0.935 . . . . 0.0 109.041 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -53.98 -33.75 57.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.4 -0.812 . . . . 0.0 109.093 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -74.27 -52.8 11.23 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.299 -0.876 . . . . 0.0 109.937 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.459 ' OG ' ' NZ ' ' A' ' 19' ' ' LYS . 10.2 m -62.58 -50.91 69.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.587 -1.32 . . . . 0.0 110.421 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' SER . 63.6 mt-10 -58.37 -38.95 78.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.044 -1.035 . . . . 0.0 108.968 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -69.83 -40.53 75.79 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.72 70.97 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -14.86 27.28 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 14.92 55.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' GLU . 54.9 m -153.7 123.54 6.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.266 -1.138 . . . . 0.0 109.727 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.87 123.8 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.503 -0.748 . . . . 0.0 109.738 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -72.58 140.07 47.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.45 -0.781 . . . . 0.0 109.363 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -56.9 -28.64 62.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.188 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' OE1' ' A' ' 37' ' ' GLU . 97.8 p -54.95 -48.49 73.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.865 . . . . 0.0 109.48 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 24' ' ' GLU . 6.0 m -63.8 -46.64 84.25 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.165 -0.96 . . . . 0.0 109.189 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.02 -39.3 66.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 20.6 m-85 -66.65 -52.38 45.63 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.179 -0.95 . . . . 0.0 110.718 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 33' ' ' SER . 1.5 mp0 -72.42 -14.74 61.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.024 -1.047 . . . . 0.0 110.115 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 42' ' ' LEU . 50.3 t80 -77.58 -34.61 53.58 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.977 -1.077 . . . . 0.0 108.977 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.89 -36.17 67.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.278 -0.889 . . . . 0.0 109.117 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.687 ' HE1' ' NH2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -56.44 -53.02 62.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.997 -1.064 . . . . 0.0 108.396 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.8 m -53.86 -40.9 66.93 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.631 -0.668 . . . . 0.0 110.196 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 38' ' ' TYR . 18.7 mt -76.55 -38.43 55.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 39' ' ' ALA . 71.3 t -53.0 -19.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.116 -0.99 . . . . 0.0 108.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.687 ' NH2' ' HE1' ' A' ' 40' ' ' TRP . 50.1 mtm180 -119.09 16.67 13.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.025 -0.422 . . . . 0.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 47' ' ' TYR . 2.3 m -73.59 16.03 0.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.761 -1.212 . . . . 0.0 110.728 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 60.58 -35.65 0.08 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.249 -0.907 . . . . 0.0 111.392 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 45' ' ' SER . 69.8 m-85 -79.08 142.31 36.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.618 -1.301 . . . . 0.0 109.42 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 49' ' ' ASP . 2.7 p-10 -70.71 -47.0 62.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.289 -0.882 . . . . 0.0 110.188 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 36.2 t70 -52.34 -39.47 60.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 110.747 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.59 -31.2 63.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.82 -1.175 . . . . 0.0 109.376 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.48 -43.51 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.935 -1.103 . . . . 0.0 108.75 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -51.77 -44.12 63.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -64.39 -38.86 92.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.81 69.4 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.37 -54.85 27.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 120.984 -1.303 . . . . 0.0 108.424 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 56' ' ' VAL . 27.9 t -53.24 -51.05 43.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.5 mt -48.88 -47.65 42.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.402 -0.811 . . . . 0.0 109.816 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.25 -43.69 40.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.694 -1.254 . . . . 0.0 110.29 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -52.53 -41.65 63.66 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.772 -1.205 . . . . 0.0 110.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.31 -31.59 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.0 109.695 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 36' ' ' PHE . 80.9 mt -76.02 -30.83 58.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.233 -0.917 . . . . 0.0 111.247 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.8 mp -51.75 -55.06 33.34 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 120.728 -1.233 . . . . 0.0 111.374 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.2 Cg_exo -54.08 -25.26 36.29 Favored 'Trans proline' 0 C--N 1.321 -0.877 0 CA-C-N 119.396 0.82 . . . . 0.0 110.12 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.57 49.48 0.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.302 -0.874 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 157.92 27.5 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -76.06 -170.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 0.0 109.319 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.3 -38.3 65.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.024 -1.048 . . . . 0.0 109.575 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.97 -42.24 63.53 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.64 -39.26 73.37 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 74' ' ' VAL . 80.6 mt-30 -64.52 -45.45 87.16 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.852 . . . . 0.0 109.511 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -50.05 -31.72 13.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.008 -1.058 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -76.5 -41.19 47.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.903 -1.123 . . . . 0.0 109.234 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m-85 -73.54 -39.49 64.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.888 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 74.8 t -57.77 -33.39 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -65.94 -48.56 70.97 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.479 -0.763 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.35 -39.94 89.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.835 -1.165 . . . . 0.0 110.179 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.16 -24.47 66.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.365 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.78 -34.56 60.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.142 -0.973 . . . . 0.0 109.12 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.59 -35.86 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.686 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.93 -44.34 94.7 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -67.99 -29.19 68.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.178 -1.189 . . . . 0.0 109.754 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -62.65 -38.75 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 85' ' ' LYS . 70.5 mtt180 -75.25 -43.59 50.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.996 -1.065 . . . . 0.0 110.049 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' GLU . 73.5 mt -64.13 29.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.904 -1.122 . . . . 0.0 110.621 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 83' ' ' ARG . 19.2 mtpp 63.2 -34.11 0.13 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.131 -0.981 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.06 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.649 -1.282 . . . . 0.0 108.825 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 58.5 m-85 -84.59 -38.67 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.386 -0.821 . . . . 0.0 110.307 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.86 -47.46 68.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.077 -1.015 . . . . 0.0 110.888 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -55.44 -52.53 63.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.834 -1.166 . . . . 0.0 109.788 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.77 55.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 108.671 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 114' ' ' ILE . 6.3 tp -75.82 -19.4 58.96 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.7 -46.88 18.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.513 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -65.65 -48.94 70.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -0.853 . . . . 0.0 110.197 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.01 -39.86 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.935 . . . . 0.0 109.785 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -57.14 -34.73 68.7 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.708 -1.245 . . . . 0.0 108.065 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.87 95.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 2.7 mm? -57.32 -39.07 75.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.225 -1.162 . . . . 0.0 108.969 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ALA . 10.4 mt -76.36 -50.01 15.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.142 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -54.49 -16.55 2.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.791 -1.193 . . . . 0.0 107.786 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.5 p -103.46 -48.7 3.9 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.625 0.726 . . . . 0.0 109.207 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' LEU . 69.0 mm-40 -138.35 83.24 21.76 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.834 -0.541 . . . . 0.0 109.941 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 5.1 Cg_exo -61.26 -15.58 41.08 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.053 1.169 . . . . 0.0 109.432 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -82.09 -2.73 52.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.431 -0.793 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -82.52 106.26 14.24 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.6 -31.51 62.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.0 109.904 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -56.86 -32.6 65.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.92 -27.77 43.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 108.903 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 88.3 mttt -75.3 -50.6 15.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.849 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.61 -34.64 69.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.129 -0.982 . . . . 0.0 109.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.37 -44.48 91.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 108.719 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.532 ' HG3' HD11 ' A' ' 91' ' ' LEU . 27.6 tt0 -57.17 -33.64 67.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 108.465 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.23 -50.78 70.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.48 -0.762 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.45 -46.8 83.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 91' ' ' LEU . 67.7 mt -63.14 -42.3 96.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.532 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -72.71 -45.06 60.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.905 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -56.92 -38.56 73.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.674 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.68 76.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 108.418 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.2 mtt -46.96 -48.32 21.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 109.918 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.547 -1.346 . . . . 0.0 109.239 179.613 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.333 0.587 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 145.78 53.2 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.24 -28.46 14.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.074 -1.016 . . . . 0.0 108.672 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 14.5 mm-40 -66.61 -44.81 81.06 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.44 -46.52 79.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -44.0 95.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.937 -1.102 . . . . 0.0 109.932 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.45 -37.53 51.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.929 -1.107 . . . . 0.0 109.451 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' NZ ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.97 -46.73 75.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.966 . . . . 0.0 109.023 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 19.5 m-85 -74.85 -27.9 60.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.098 -1.001 . . . . 0.0 108.822 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.34 -37.14 74.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -54.07 -45.87 71.86 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -56.72 -48.01 78.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.018 -1.051 . . . . 0.0 108.435 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.59 -33.41 66.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.245 -0.909 . . . . 0.0 109.233 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -73.1 -52.39 14.43 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.412 -0.805 . . . . 0.0 109.692 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 m -64.65 -47.71 77.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.777 -1.202 . . . . 0.0 109.971 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' SER . 52.1 mm-40 -57.58 -40.41 78.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.121 -0.987 . . . . 0.0 108.891 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -71.22 -37.35 72.05 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.936 . . . . 0.0 108.774 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -41.55 71.26 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -14.96 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.68 16.69 51.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.7 m -156.67 123.41 5.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.441 -1.035 . . . . 0.0 109.514 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.0 121.55 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.536 -0.727 . . . . 0.0 109.523 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -71.69 138.97 48.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.809 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.14 -31.45 65.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.088 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -54.14 -49.13 69.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.485 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.1 m -64.88 -44.67 88.9 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.122 -0.986 . . . . 0.0 109.135 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -55.2 -37.31 66.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 109.517 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 21.9 m-85 -69.85 -51.32 34.48 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.226 -0.921 . . . . 0.0 110.583 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 67.0 mt-10 -72.02 -16.05 62.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.129 -0.982 . . . . 0.0 110.613 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 35.2 t80 -78.91 -34.42 44.66 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 109.108 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.29 69.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.194 -0.941 . . . . 0.0 108.996 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.494 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.9 -52.93 63.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 108.4 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -53.05 -38.9 62.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.137 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 19.3 mt -77.09 -39.78 48.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.915 -1.115 . . . . 0.0 110.35 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 39' ' ' ALA . 88.7 t -53.1 -21.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 O-C-N 121.101 -0.999 . . . . 0.0 109.925 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -117.14 31.02 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.741 -0.599 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 p -85.12 159.26 20.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 109.575 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 45.7 tttp -82.23 34.64 0.42 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.292 -0.88 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 39.7 m-85 -150.64 141.75 23.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.15 -0.969 . . . . 0.0 109.273 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -71.38 -45.78 61.97 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 0.0 110.28 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 35.3 p-10 -50.73 -35.46 31.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.017 -1.052 . . . . 0.0 110.749 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 4.2 m-20 -74.25 -34.3 63.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.931 -1.105 . . . . 0.0 109.436 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -76.96 -52.92 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.823 -1.173 . . . . 0.0 109.581 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -52.61 -25.19 9.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -80.18 -41.92 24.38 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.66 -40.55 96.63 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.64 -42.98 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 O-C-N 120.815 -1.403 . . . . 0.0 108.08 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 52' ' ' ARG . 99.3 t -61.37 -47.88 91.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.117 -0.989 . . . . 0.0 108.552 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 57' ' ' LEU . 34.5 mt -48.5 -48.83 37.85 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.688 -0.632 . . . . 0.0 110.025 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 77' ' ' LEU . 55.1 mt -70.48 -37.74 74.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.773 -1.205 . . . . 0.0 110.087 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.29 -43.45 64.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.063 -1.023 . . . . 0.0 110.212 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -71.97 -29.67 64.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.074 -1.016 . . . . 0.0 109.749 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.51 -30.36 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.125 -0.984 . . . . 0.0 110.936 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.3 mp -52.4 -55.94 27.18 Favored Pre-proline 0 N--CA 1.487 1.399 0 O-C-N 120.772 -1.205 . . . . 0.0 111.247 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 Cg_exo -54.88 -30.29 67.73 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.521 0.814 . . . . 0.0 110.13 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.2 33.53 1.08 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.184 -0.948 . . . . 0.0 109.772 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.57 154.8 23.83 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 44.3 t -71.68 -170.93 0.6 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -1.156 . . . . 0.0 109.247 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -74.58 -39.32 62.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.665 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 8.0 mm-40 -71.15 -48.42 51.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 108.87 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.24 -33.0 64.99 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 0.0 108.842 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 66' ' ' SER . 38.9 mt-30 -67.46 -42.51 82.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 108.878 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' OE2' ' A' ' 68' ' ' GLU . 58.9 mtm180 -52.48 -30.63 31.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.173 -0.954 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -76.26 -51.98 10.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.098 -1.001 . . . . 0.0 109.524 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.1 m-85 -61.91 -30.66 71.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.089 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.2 -39.32 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.07 -43.77 91.79 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.799 -0.563 . . . . 0.0 110.238 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -71.33 -37.49 71.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.851 -1.155 . . . . 0.0 110.101 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 58' ' ' LEU . 78.1 mt -60.94 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.616 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.8 90.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.27 -39.55 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.61 87.75 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -65.62 -26.22 67.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.248 -1.148 . . . . 0.0 109.147 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.76 -30.1 67.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 85' ' ' LYS . 29.4 mmt180 -71.24 -48.44 51.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.478 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 86' ' ' GLU . 47.5 mt -67.71 45.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 109.604 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' ARG . 16.2 ptmt 31.17 31.3 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.207 0.527 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' LEU . 12.3 tp10 -106.39 97.03 6.88 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -85.37 -30.81 23.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.449 -0.782 . . . . 0.0 110.627 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 6.9 mp0 -66.58 -52.46 45.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.145 . . . . 0.0 110.806 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -67.74 -41.25 83.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.887 -1.133 . . . . 0.0 110.209 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.88 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 109.571 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -61.53 -19.71 62.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.09 -1.006 . . . . 0.0 109.035 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -71.1 -39.06 72.34 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.935 -1.103 . . . . 0.0 108.442 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -76.31 -42.0 46.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.637 -0.664 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -32.81 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -71.18 -48.09 53.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.471 -1.393 . . . . 0.0 109.219 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.61 -31.31 80.47 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 21.5 tp -57.96 -38.69 76.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.531 -0.982 . . . . 0.0 108.918 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 107' ' ' ALA . 75.0 mt -75.79 -33.58 60.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.831 -1.168 . . . . 0.0 109.579 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -53.94 -25.16 19.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 43.1 p -94.06 -48.71 6.11 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -130.36 77.69 75.67 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.793 -0.567 . . . . 0.0 110.093 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.424 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 2.3 Cg_endo -65.24 -17.28 58.04 Favored 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.307 1.338 . . . . 0.0 109.711 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -80.7 -2.83 48.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 0.0 109.708 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.05 102.46 5.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -69.98 -41.79 73.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.88 -28.5 56.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.269 -0.894 . . . . 0.0 109.391 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.491 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.56 -30.96 47.16 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.0 109.152 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 84.1 mttt -72.43 -50.82 23.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.907 . . . . 0.0 109.692 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.78 -31.42 68.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.382 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.66 -40.82 97.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -61.13 -34.16 74.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.268 -0.895 . . . . 0.0 109.423 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.67 ' HE ' ' HZ1' ' A' ' 116' ' ' LYS . 50.0 mtp180 -63.37 -43.52 97.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.0 -48.0 79.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.093 -1.005 . . . . 0.0 109.126 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.521 HG21 ' CD1' ' A' ' 91' ' ' LEU . 50.9 mt -66.58 -52.77 42.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.575 -0.703 . . . . 0.0 109.83 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.94 -41.4 78.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HZ1' ' HE ' ' A' ' 112' ' ' ARG . 45.4 mttp -58.26 -51.87 67.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.016 . . . . 0.0 109.727 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.56 76.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.6 ttm -47.99 -47.2 33.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.585 -0.697 . . . . 0.0 110.155 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.722 -1.236 . . . . 0.0 109.205 179.668 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.269 0.557 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 m -80.51 133.69 35.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.62 -25.77 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 108.896 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 51.7 mt-10 -65.89 -46.62 77.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.232 -0.918 . . . . 0.0 108.952 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -68.04 -34.2 76.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.278 -0.889 . . . . 0.0 109.945 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -68.87 -49.73 55.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.01 . . . . 0.0 109.48 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -78.44 -34.56 47.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.964 . . . . 0.0 110.512 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.5 tmmm? -52.01 -45.34 64.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.008 -1.058 . . . . 0.0 109.271 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.06 -27.39 48.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.1 -1.0 . . . . 0.0 108.845 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -55.31 -47.44 75.6 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.12 -47.96 81.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.049 -1.032 . . . . 0.0 108.76 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.03 -32.72 66.47 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.263 -0.898 . . . . 0.0 109.2 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -73.19 -52.3 14.64 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.575 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -62.72 -48.82 77.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.789 -1.195 . . . . 0.0 110.039 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' SER . 16.9 mm-40 -57.66 -42.59 83.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.139 -0.976 . . . . 0.0 109.07 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -68.37 -39.91 81.63 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.204 -0.935 . . . . 0.0 108.905 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.15 74.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.16 -15.46 14.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.39 53.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.13 122.72 7.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.435 -1.038 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.52 121.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.717 . . . . 0.0 109.636 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -73.79 137.52 43.94 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.424 -0.798 . . . . 0.0 109.423 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.7 -28.66 61.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -0.892 . . . . 0.0 109.237 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 m -61.8 -49.02 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -67.53 -40.7 85.06 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.171 -0.956 . . . . 0.0 109.242 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.642 ' NE2' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -60.98 -45.65 93.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 108.798 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.1 m-85 -65.59 -49.83 67.35 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.525 -0.735 . . . . 0.0 110.449 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 44.5 mt-10 -70.79 -14.91 62.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.933 -1.104 . . . . 0.0 109.748 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 19.3 t80 -78.75 -37.21 41.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.166 -0.959 . . . . 0.0 109.028 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -70.81 -37.69 73.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.106 -0.996 . . . . 0.0 108.887 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -54.14 -51.33 64.62 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 m -53.2 -40.27 64.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.819 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -77.81 -42.15 34.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.026 -1.046 . . . . 0.0 110.403 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 98.7 t -53.28 -21.49 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 O-C-N 121.059 -1.026 . . . . 0.0 109.835 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -107.72 31.01 5.79 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.738 -0.601 . . . . 0.0 109.681 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -96.84 159.93 14.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.991 -1.068 . . . . 0.0 109.282 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -79.53 -9.75 59.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -93.57 138.61 31.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.44 -47.96 58.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.0 110.015 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -32.05 20.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 110.252 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.4 -34.47 77.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.929 -1.107 . . . . 0.0 108.956 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.4 mt -79.68 -47.11 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.869 -1.144 . . . . 0.0 108.466 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.521 HH11 ' HG2' ' A' ' 52' ' ' ARG . 3.0 ttt-85 -55.54 -27.84 51.29 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -83.64 -46.97 11.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.07 91.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.0 mt -65.08 -44.42 95.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.057 -1.26 . . . . 0.0 108.83 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -62.08 -48.35 88.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.642 HD22 ' NE2' ' A' ' 35' ' ' GLN . 38.7 mt -49.53 -43.65 45.83 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 120.316 -0.554 . . . . 0.0 109.673 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.36 -45.37 55.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.705 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -52.65 -35.62 55.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.19 -0.944 . . . . 0.0 110.288 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.7 -35.03 65.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.089 -1.007 . . . . 0.0 110.361 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.62 -29.19 56.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.137 -0.977 . . . . 0.0 110.925 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 mp -50.98 -56.03 23.05 Favored Pre-proline 0 N--CA 1.487 1.398 0 O-C-N 120.759 -1.213 . . . . 0.0 110.9 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.6 Cg_exo -54.23 -27.78 49.03 Favored 'Trans proline' 0 C--N 1.323 -0.777 0 N-CA-C 110.033 -0.795 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -93.34 26.33 2.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.223 -0.923 . . . . 0.0 109.494 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.22 154.54 20.88 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -73.92 -169.25 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -1.114 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -74.36 -38.29 63.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.053 . . . . 0.0 109.695 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.96 -49.49 51.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.191 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.58 -32.65 69.15 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.303 -0.873 . . . . 0.0 109.075 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 40.3 mt-30 -66.24 -45.93 78.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.133 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -52.43 -30.8 31.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.938 . . . . 0.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.19 -51.91 11.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.012 -1.055 . . . . 0.0 109.566 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.1 m-85 -61.8 -33.84 74.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.079 -1.013 . . . . 0.0 109.185 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 38.6 t -58.87 -39.57 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.57 -46.57 88.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.764 -0.585 . . . . 0.0 110.572 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -68.13 -37.75 81.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.706 -1.246 . . . . 0.0 110.246 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -43.65 96.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.6 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.111 -0.993 . . . . 0.0 109.292 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.49 -38.39 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.09 -41.9 69.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -69.45 -27.29 65.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -1.207 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.5 t80 -71.51 -29.88 65.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 109.413 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 61.1 ttt180 -72.94 -42.71 63.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.113 -0.992 . . . . 0.0 109.976 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 86' ' ' GLU . 74.5 mt -70.36 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.965 -1.084 . . . . 0.0 109.926 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.3 mtpt 58.85 -0.59 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 0.0 110.061 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.07 94.6 4.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.026 . . . . 0.0 108.698 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.72 -36.43 21.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.94 -50.77 69.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.76 -45.77 88.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.977 . . . . 0.0 109.903 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.5 73.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.554 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.1 mp -58.83 -18.35 31.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.157 -0.964 . . . . 0.0 109.021 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.87 -39.73 61.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.827 -1.17 . . . . 0.0 108.525 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -76.21 -37.8 57.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 110.13 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -31.69 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.301 -178.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -75.25 -48.24 24.28 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.468 -1.395 . . . . 0.0 109.206 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.42 -28.64 71.44 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.3 -38.8 92.58 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.5 -1.0 . . . . 0.0 108.354 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -78.88 -29.66 44.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.016 -1.053 . . . . 0.0 110.67 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -53.74 -37.36 63.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -34.45 16.58 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -133.91 73.98 69.96 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.607 -0.683 . . . . 0.0 109.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.0 -18.67 57.44 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.444 1.429 . . . . 0.0 109.727 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.41 -4.8 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.275 -0.891 . . . . 0.0 109.961 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 107' ' ' ALA . 54.2 t-20 -74.66 104.52 5.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.485 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -74.46 -40.55 61.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.44 -28.48 59.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.179 -0.95 . . . . 0.0 109.424 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.726 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -27.27 47.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.073 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -74.33 -50.73 17.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.82 -32.67 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.42 -43.59 98.6 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.8 -34.14 75.37 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -57.04 -45.02 83.5 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.54 -0.725 . . . . 0.0 109.653 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.36 -46.26 83.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.176 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.6 mt -66.45 -46.55 86.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.386 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -54.95 -41.71 71.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.734 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.4 -49.99 72.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 0.0 109.858 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.53 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.149 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.8 mtp -47.98 -48.43 32.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.542 -0.724 . . . . 0.0 110.209 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? . . . . . 0 N--CA 1.489 1.512 0 O-C-N 120.522 -1.362 . . . . 0.0 109.105 179.799 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -81.04 141.29 34.52 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.41 -26.86 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 108.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 81.4 mm-40 -65.93 -45.85 80.34 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.98 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.69 -46.04 84.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.264 -0.898 . . . . 0.0 110.423 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.53 91.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.98 -1.075 . . . . 0.0 109.709 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.39 -36.91 45.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 32.9 ttpt -51.84 -54.27 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.986 -1.071 . . . . 0.0 108.989 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.04 -25.83 64.67 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 108.981 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.31 -35.77 73.87 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -53.96 -47.09 71.69 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -62.36 -48.98 77.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.975 . . . . 0.0 108.794 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -53.65 -37.16 62.85 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.131 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -72.36 -52.53 15.68 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.488 -0.758 . . . . 0.0 109.935 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.91 -50.16 74.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.762 -1.211 . . . . 0.0 109.829 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 29' ' ' SER . 11.8 mm-40 -58.41 -52.0 67.47 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.096 -1.002 . . . . 0.0 108.933 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.6 ttpt -57.16 -41.06 78.48 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.171 -0.956 . . . . 0.0 108.933 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.78 64.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -14.85 34.03 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.75 10.68 46.07 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -153.75 159.1 41.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -1.033 . . . . 0.0 109.191 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.84 123.68 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.372 -0.83 . . . . 0.0 109.426 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.0 m -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 109.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -57.75 -35.72 71.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.306 -0.871 . . . . 0.0 109.166 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.6 t -55.41 -49.55 72.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.71 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.8 m -64.77 -39.43 93.6 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.112 -0.992 . . . . 0.0 109.02 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.933 HE22 HD22 ' A' ' 57' ' ' LEU . 1.7 tm0? -62.28 -37.1 84.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 108.874 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 15.1 m-85 -68.91 -51.31 41.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.293 -0.879 . . . . 0.0 110.464 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.76 -14.27 62.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.853 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.2 t80 -79.24 -34.65 42.55 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -72.26 -34.69 68.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.059 -1.026 . . . . 0.0 108.917 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.71 -53.19 60.64 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.268 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -79.22 -55.94 4.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 39' ' ' ALA . 33.3 m -54.65 -18.25 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.758 -1.214 . . . . 0.0 109.913 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -102.69 19.25 19.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 109.068 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 32.0 t -85.25 -151.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.18 -0.95 . . . . 0.0 109.599 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 45' ' ' SER . 9.0 ptmm? -138.99 39.67 2.14 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.357 -0.84 . . . . 0.0 109.14 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -152.82 131.04 11.97 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -59.49 -39.21 83.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.391 -0.818 . . . . 0.0 111.555 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.79 -44.33 63.4 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.656 -1.277 . . . . 0.0 111.027 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -74.67 -45.2 46.14 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.971 -1.081 . . . . 0.0 109.312 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.13 -48.26 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.746 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 56' ' ' VAL . 96.6 mtt180 -54.63 -30.11 53.97 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -85.4 -40.52 16.37 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.03 -30.83 76.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.66 -42.93 62.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -1.122 . . . . 0.0 109.108 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.8 t -66.17 -44.03 91.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 O-C-N 121.221 -0.925 . . . . 0.0 108.682 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.933 HD22 HE22 ' A' ' 35' ' ' GLN . 28.6 mt -49.06 -46.9 45.12 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.707 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.1 -42.59 46.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.933 -1.105 . . . . 0.0 109.98 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -51.19 -42.22 60.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -0.996 . . . . 0.0 109.891 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -73.34 -32.02 64.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 109.94 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 mt -77.79 -29.67 50.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.99 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.5 mp -51.76 -55.59 28.69 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.779 -1.201 . . . . 0.0 111.181 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.4 Cg_exo -52.17 -18.1 6.96 Favored 'Trans proline' 0 C--N 1.321 -0.875 0 CA-C-N 119.258 0.771 . . . . 0.0 110.364 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 58.25 0.7 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.413 -0.804 . . . . 0.0 110.072 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.12 161.15 29.24 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -70.14 -176.57 1.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -1.182 . . . . 0.0 109.031 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -74.55 -41.08 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.999 -1.063 . . . . 0.0 109.516 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.82 -37.41 62.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.74 -39.23 84.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 74' ' ' VAL . 54.6 mt-30 -65.32 -41.74 93.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.079 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -52.55 -30.69 32.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.404 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.32 -52.05 10.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 109.333 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.8 m-85 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 108.986 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 70' ' ' GLN . 29.1 t -60.68 -41.3 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 108.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.23 -47.61 84.69 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.671 -0.643 . . . . 0.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -65.46 -36.85 85.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.738 -1.226 . . . . 0.0 110.665 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.72 -44.1 93.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 109.697 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.23 70.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.41 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.75 -42.98 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.066 -1.021 . . . . 0.0 110.112 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.47 90.31 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.11 -30.25 60.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.187 -1.184 . . . . 0.0 109.638 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -63.21 -31.7 72.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.332 -0.855 . . . . 0.0 109.115 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 85' ' ' LYS . 56.5 mtp180 -76.5 -42.88 41.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.313 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 86' ' ' GLU . 64.3 mt -70.23 33.84 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' TYR . 46.2 tttp 63.65 -31.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.277 -0.89 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 84' ' ' LEU . 43.2 mt-10 -49.83 95.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.732 -1.23 . . . . 0.0 108.742 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.6 m-85 -83.82 -42.59 16.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.0 110.751 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.83 -42.4 63.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.895 . . . . 0.0 110.672 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -54.26 -48.97 70.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.891 -1.131 . . . . 0.0 108.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.63 69.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.283 -0.886 . . . . 0.0 109.004 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.5 tp -72.62 -21.43 61.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.485 -0.76 . . . . 0.0 109.305 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.51 -36.21 57.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.366 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -75.27 -40.9 58.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.65 -0.656 . . . . 0.0 109.754 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -34.67 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.319 -0.863 . . . . 0.0 110.584 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -71.57 -48.0 51.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.457 -1.402 . . . . 0.0 109.841 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.11 76.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.02 -37.56 77.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.652 -0.91 . . . . 0.0 109.075 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 73.9 mt -75.66 -28.91 58.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.73 -1.231 . . . . 0.0 109.917 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 3.2 tp60 -57.93 -28.62 64.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 60.7 p -87.95 -50.58 6.33 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.647 -0.658 . . . . 0.0 109.667 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -130.7 78.02 74.59 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.667 -0.645 . . . . 0.0 110.153 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.524 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 5.8 Cg_exo -62.7 -13.42 33.88 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 C-N-CA 121.212 1.275 . . . . 0.0 109.517 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -81.67 -3.25 53.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.799 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -76.85 97.0 4.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 109.587 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -65.83 -43.67 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.889 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -55.24 -28.13 51.16 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.311 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.18 -27.97 42.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.148 -0.97 . . . . 0.0 109.048 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 64.4 mttm -73.72 -50.42 20.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.852 . . . . 0.0 109.611 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.3 -37.46 72.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.14 -0.975 . . . . 0.0 109.26 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.96 -38.55 91.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.095 -1.003 . . . . 0.0 108.78 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.28 -32.61 74.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.855 . . . . 0.0 108.788 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -63.19 -47.02 84.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.496 -0.753 . . . . 0.0 109.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.54 -44.6 93.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 109.599 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.72 -45.7 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 109.618 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.2 -46.2 71.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.278 -0.889 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -70.26 -51.0 33.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 110.98 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.45 69.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.6 -1.313 . . . . 0.0 108.363 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 10.5 ttp -52.75 -30.23 31.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 110.207 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.7 mttm . . . . . 0 N--CA 1.489 1.482 0 O-C-N 120.78 -1.2 . . . . 0.0 108.937 179.282 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.221 0.534 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.8 p -63.75 130.94 46.27 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.268 -0.895 . . . . 0.0 109.181 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -47.58 -25.28 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.273 -0.892 . . . . 0.0 109.084 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.1 mp0 -70.99 -44.26 66.31 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.133 -0.979 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.55 -42.12 99.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.855 . . . . 0.0 110.714 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.23 -43.73 60.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.883 -1.136 . . . . 0.0 109.832 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 mt -78.34 -19.09 54.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.753 -1.217 . . . . 0.0 110.094 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.3 ttpt -68.74 -50.86 47.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.015 -1.053 . . . . 0.0 109.84 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.96 -26.59 54.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.969 -1.082 . . . . 0.0 109.497 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' OE2' ' CE1' ' A' ' 38' ' ' TYR . 5.8 tp10 -73.96 -33.88 64.05 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -54.36 -48.86 70.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 6.0 mtpp -58.34 -47.45 83.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.033 -1.042 . . . . 0.0 108.568 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -53.41 -32.44 49.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -73.19 -52.92 12.34 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.663 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.3 m -65.56 -47.43 75.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 110.033 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.01 -38.98 77.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.117 -0.989 . . . . 0.0 108.961 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -72.6 -37.19 68.2 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.158 -0.964 . . . . 0.0 108.749 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.93 72.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.63 12.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.0 17.0 53.18 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.5 m -153.86 121.33 5.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.514 -0.992 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.24 121.79 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.45 -0.781 . . . . 0.0 109.759 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -71.01 139.56 50.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.357 -0.839 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -56.17 -32.35 64.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.22 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -54.1 -49.1 69.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.555 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -65.39 -41.62 93.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.141 -0.974 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -58.1 -41.23 83.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.185 -0.947 . . . . 0.0 109.27 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 22.8 m-85 -68.06 -50.9 52.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.422 -0.799 . . . . 0.0 110.313 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.27 -14.71 61.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.123 -0.986 . . . . 0.0 110.453 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 20.3 t80 -77.01 -37.31 55.31 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.676 -1.265 . . . . 0.0 109.211 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.11 -37.37 69.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -47.74 75.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.884 -1.135 . . . . 0.0 108.095 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.8 m -54.71 -42.35 71.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.459 -0.775 . . . . 0.0 109.64 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -78.1 -41.31 35.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.193 -0.942 . . . . 0.0 110.766 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' ALA . 66.7 t -52.83 -20.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.952 -1.093 . . . . 0.0 109.816 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.567 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.4 OUTLIER -113.71 27.42 9.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 0.0 109.414 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -87.07 158.47 19.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.929 -1.107 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -73.97 -11.84 60.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -94.77 136.68 34.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' OD1' ' A' ' 49' ' ' ASP . 13.1 p-10 -70.63 -48.65 53.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 110.017 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -52.22 -27.51 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.037 -1.04 . . . . 0.0 110.267 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.9 -29.92 69.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.963 -1.085 . . . . 0.0 108.99 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -77.6 -39.17 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.2 mtt180 -54.11 -54.69 36.01 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -57.74 -45.28 86.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.52 -40.55 96.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -67.66 -38.87 81.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 120.984 -1.304 . . . . 0.0 108.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.7 t -66.88 -47.02 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 57' ' ' LEU . 34.2 mt -49.65 -49.07 48.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.899 -0.501 . . . . 0.0 110.09 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.88 -41.98 74.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.813 -1.18 . . . . 0.0 109.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CD ' ' HH ' ' A' ' 93' ' ' TYR . 14.3 mm-40 -51.33 -39.13 56.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.034 -1.041 . . . . 0.0 109.979 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.63 -29.03 62.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.992 . . . . 0.0 109.779 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.64 -31.67 57.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.266 -0.897 . . . . 0.0 110.932 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.1 mp -53.68 -54.82 41.88 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 120.752 -1.217 . . . . 0.0 111.565 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.6 Cg_endo -56.52 -27.75 70.53 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 CA-C-N 119.553 0.876 . . . . 0.0 110.343 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.2 -4.28 57.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.165 -0.959 . . . . 0.0 110.18 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.47 154.52 20.4 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 6.7 m -68.76 -167.4 0.1 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -1.196 . . . . 0.0 108.937 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -74.97 -41.18 60.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.888 -1.132 . . . . 0.0 109.342 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.54 -45.27 72.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.406 -0.809 . . . . 0.0 109.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 35.8 mt-10 -64.25 -30.09 71.16 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.142 -0.974 . . . . 0.0 109.529 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 66' ' ' SER . 32.6 mt-30 -66.77 -55.1 16.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.082 -1.011 . . . . 0.0 109.799 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -52.55 -26.63 13.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.984 -1.072 . . . . 0.0 109.613 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.98 -53.02 9.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.815 -1.178 . . . . 0.0 109.533 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 9.2 m-85 -61.99 -31.94 72.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.913 -1.117 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -59.36 -37.41 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.57 -46.13 89.83 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.824 -0.547 . . . . 0.0 110.119 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.45 -37.28 82.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.06 -45.08 96.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.0 109.612 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.9 68.84 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.08 -1.013 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.6 -38.93 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.12 -42.25 91.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -69.38 -28.04 65.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.191 -1.182 . . . . 0.0 109.653 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.34 -29.82 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 109.04 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.5 mmt180 -71.75 -44.21 64.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 0.0 109.659 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -72.17 27.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.149 -0.97 . . . . 0.0 109.914 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.6 mttp 56.42 2.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.96 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 60.5 mm-40 -75.9 93.69 3.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.104 -0.998 . . . . 0.0 109.129 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.15 -36.49 22.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.27 -0.894 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.29 -50.6 72.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 0.0 109.982 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.97 -44.09 73.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.118 -0.989 . . . . 0.0 109.826 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.91 71.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.6 mp -76.59 -19.48 57.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.556 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -73.31 -36.3 66.22 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HH ' ' CD ' ' A' ' 59' ' ' GLU . 47.5 m-85 -76.54 -39.5 52.7 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.736 -0.602 . . . . 0.0 109.95 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -31.34 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.209 -0.932 . . . . 0.0 110.675 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -70.87 -48.49 53.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.395 -1.441 . . . . 0.0 109.624 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.05 -29.51 75.56 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.94 -38.69 83.13 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.598 -0.943 . . . . 0.0 108.826 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 79.3 mt -75.47 -33.72 60.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.786 -1.196 . . . . 0.0 109.378 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -53.63 -26.01 20.28 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 45.8 p -92.97 -48.61 6.44 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -128.43 77.74 76.73 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.84 -0.537 . . . . 0.0 110.075 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.34 -24.56 64.58 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.265 1.31 . . . . 0.0 109.693 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.633 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 7.6 pm0 -77.25 5.94 7.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 0.0 109.474 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -78.97 101.37 7.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.464 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -72.0 -36.94 69.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -56.8 -44.35 81.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.383 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -62.06 -38.09 87.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.386 -0.821 . . . . 0.0 109.484 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.26 -39.39 82.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.65 -51.6 67.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.131 -0.981 . . . . 0.0 109.578 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.23 -42.55 63.69 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.105 -0.997 . . . . 0.0 109.217 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.4 -49.39 77.76 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.07 -42.8 81.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 109.157 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.59 HG21 ' CD1' ' A' ' 91' ' ' LEU . 35.4 mt -71.68 -45.22 67.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.344 -0.848 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -42.17 84.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -55.93 -48.72 75.19 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.145 -0.972 . . . . 0.0 109.405 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.19 77.09 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.8 mmm -49.32 -47.89 46.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.446 -0.783 . . . . 0.0 110.423 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp . . . . . 0 N--CA 1.491 1.594 0 O-C-N 120.568 -1.332 . . . . 0.0 109.198 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.382 0.61 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -62.16 138.96 58.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.194 -0.941 . . . . 0.0 108.833 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.19 -25.12 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.0 mp0 -70.3 -46.31 64.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.672 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.92 -37.27 86.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.957 . . . . 0.0 110.446 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -73.4 -44.68 57.97 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.844 -1.16 . . . . 0.0 109.402 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -78.18 -26.6 47.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.888 -1.133 . . . . 0.0 109.589 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.3 tmmm? -62.69 -44.38 96.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 109.021 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -78.17 -27.4 48.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.0 108.754 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -70.75 -37.91 73.45 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.36 -47.84 75.14 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -56.83 -46.7 81.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.096 -1.002 . . . . 0.0 108.813 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -53.5 -34.44 58.1 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.349 -0.844 . . . . 0.0 109.545 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -72.49 -53.64 11.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.135 -0.978 . . . . 0.0 109.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -57.73 -50.05 74.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.798 -1.189 . . . . 0.0 109.756 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.64 -49.52 77.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.178 -0.951 . . . . 0.0 109.009 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -64.97 -39.28 93.24 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.24 -0.913 . . . . 0.0 108.968 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.17 72.64 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.57 -15.0 15.48 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.57 16.92 51.2 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 m -153.68 123.88 6.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.46 -1.023 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.99 118.83 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.516 -0.74 . . . . 0.0 109.688 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -70.16 137.8 51.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.458 -0.776 . . . . 0.0 109.413 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -57.95 -17.75 19.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.325 -0.859 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 t -66.95 -49.08 66.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.364 -0.835 . . . . 0.0 109.89 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -71.76 -37.33 70.54 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.065 -1.022 . . . . 0.0 109.19 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.81 ' NE2' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -56.64 -48.25 77.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 108.904 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.4 m-85 -64.0 -50.27 69.18 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.571 -0.706 . . . . 0.0 110.209 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.34 -13.51 62.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 109.826 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 52.2 t80 -80.55 -34.76 35.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.106 -0.996 . . . . 0.0 109.714 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.48 69.99 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.795 -1.191 . . . . 0.0 108.509 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.659 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.66 -52.48 65.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 108.843 179.426 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 14' ' ' LEU . 13.7 p -53.92 -38.8 65.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.875 . . . . 0.0 109.946 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.3 mt -77.57 -41.58 38.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.131 -0.981 . . . . 0.0 110.239 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 39' ' ' ALA . 92.6 t -53.22 -19.29 2.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.039 -1.038 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.659 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 47.0 mtm180 -113.74 27.78 9.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.796 -0.565 . . . . 0.0 109.617 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -88.78 167.06 13.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.999 -1.063 . . . . 0.0 109.389 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -81.57 -10.85 59.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.309 -0.869 . . . . 0.0 109.406 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -97.03 138.21 34.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 18.4 p-10 -70.97 -48.6 52.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.872 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.44 -27.55 10.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.048 -1.033 . . . . 0.0 110.188 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.41 -29.68 70.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.076 -1.015 . . . . 0.0 108.638 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.78 -41.84 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 108.871 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 56' ' ' VAL . 62.1 ttt180 -54.74 -26.07 31.74 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' NZ ' HD11 ' A' ' 57' ' ' LEU . 11.7 ttpp -87.49 -45.88 10.1 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.859 . . . . 0.0 108.788 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.34 -31.1 72.81 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.64 -43.47 54.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.213 -1.169 . . . . 0.0 108.802 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -65.79 -46.54 88.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.81 HD22 ' NE2' ' A' ' 35' ' ' GLN . 30.5 mt -49.44 -45.77 46.94 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.727 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.52 -42.0 68.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.943 -1.098 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -53.7 -35.19 60.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.052 -1.03 . . . . 0.0 110.056 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -73.82 -35.31 64.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.997 . . . . 0.0 110.359 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.93 -29.32 55.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.144 -0.973 . . . . 0.0 110.938 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 mp -51.11 -55.81 25.18 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 120.816 -1.178 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.2 Cg_exo -53.03 -27.17 35.08 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 120.514 0.809 . . . . 0.0 110.319 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -99.14 29.87 3.7 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.171 -0.956 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.38 152.7 19.25 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 40.7 t -70.1 -171.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -1.149 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -74.25 -39.15 63.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.977 -1.077 . . . . 0.0 109.438 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -71.32 -45.98 61.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.312 -0.868 . . . . 0.0 108.79 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.46 -34.69 71.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.461 -0.775 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 66' ' ' SER . 37.6 mt-30 -66.36 -45.73 79.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.92 . . . . 0.0 109.382 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -52.92 -29.89 31.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.168 -0.958 . . . . 0.0 109.261 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.51 -52.75 8.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.94 -1.1 . . . . 0.0 109.567 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.3 m-85 -60.58 -32.74 71.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 108.768 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 24.6 t -60.62 -39.5 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.48 -45.92 87.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.768 -0.582 . . . . 0.0 110.327 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -67.72 -37.27 81.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.756 -1.215 . . . . 0.0 110.056 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.91 -44.98 96.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.127 -0.983 . . . . 0.0 109.594 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.24 69.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 109.256 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.68 -40.24 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.885 . . . . 0.0 109.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.93 -40.45 89.07 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -69.52 -27.22 64.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -1.125 . . . . 0.0 109.572 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.4 t80 -70.65 -30.11 66.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.295 -0.878 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 85' ' ' LYS . 46.9 mtp180 -72.69 -43.96 62.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.137 -0.977 . . . . 0.0 109.961 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.3 mt -71.42 30.33 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.0 mmtm 55.06 4.75 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 84' ' ' LEU . 18.4 tp10 -80.71 90.05 5.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 108.985 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -84.54 -36.56 22.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 0.0 110.054 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.22 -51.23 70.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 110.151 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -69.51 -39.56 77.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.076 -1.015 . . . . 0.0 109.73 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.5 89.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.999 -1.063 . . . . 0.0 109.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.3 mp -71.61 -19.66 62.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.255 -0.903 . . . . 0.0 109.09 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -75.1 -36.84 61.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.872 -1.143 . . . . 0.0 108.273 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -75.65 -40.03 56.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.716 . . . . 0.0 109.468 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.47 -31.75 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 0.0 110.942 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -72.26 -48.81 39.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.531 -1.356 . . . . 0.0 110.133 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.52 -28.97 73.62 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 12.5 tp -57.42 -44.01 84.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.637 -0.919 . . . . 0.0 108.696 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.55 -36.19 68.2 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.931 -1.106 . . . . 0.0 110.31 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -49.56 -30.65 8.92 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 74.2 p -77.59 -48.21 17.46 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.744 0.783 . . . . 0.0 108.91 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -134.63 78.48 55.84 Favored Pre-proline 0 N--CA 1.496 1.854 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -58.1 -13.96 17.49 Favored 'Trans proline' 0 C--N 1.318 -1.079 0 C-N-CA 121.203 1.269 . . . . 0.0 109.671 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -83.36 1.2 42.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 109.792 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -79.63 105.4 10.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.22 -37.71 63.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 0.0 109.888 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -56.92 -30.4 63.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.723 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.39 -29.58 47.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.01 -50.91 20.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.778 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.83 -32.44 67.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.317 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.03 -42.01 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.123 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.51 -29.27 70.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.81 -43.02 94.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.185 -0.947 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.33 -43.64 83.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.047 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.585 HG21 ' CD1' ' A' ' 91' ' ' LEU . 62.7 mt -71.41 -50.17 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.433 -0.792 . . . . 0.0 109.599 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.58 -46.17 73.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.91 -43.84 81.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.129 -0.982 . . . . 0.0 109.805 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.36 76.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.516 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.64 -47.11 20.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.473 -0.767 . . . . 0.0 110.389 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 3.5 mptp? . . . . . 0 N--CA 1.491 1.618 0 O-C-N 120.549 -1.345 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 133.41 35.45 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.365 -0.834 . . . . 0.0 109.221 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.41 -23.19 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.286 -0.884 . . . . 0.0 108.763 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 45.8 mt-10 -70.01 -37.73 75.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.228 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 7.0 t70 -76.74 -49.44 15.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.719 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.92 -47.21 81.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.877 -1.139 . . . . 0.0 110.186 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.64 -40.53 48.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.99 -1.069 . . . . 0.0 110.329 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 33.4 ttpt -50.86 -53.39 32.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.762 -1.211 . . . . 0.0 108.92 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -65.19 -28.45 69.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.063 -1.023 . . . . 0.0 108.65 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.67 -35.2 65.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 0.0 108.574 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -54.29 -41.05 68.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -65.36 -42.2 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.314 -0.866 . . . . 0.0 108.876 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -51.06 -44.4 61.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.463 -0.773 . . . . 0.0 109.404 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -72.8 -51.43 19.0 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.216 -0.927 . . . . 0.0 110.096 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -64.31 -38.32 90.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.776 -1.202 . . . . 0.0 109.787 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 48.7 mm-40 -61.48 -50.76 71.46 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.995 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -64.15 -34.35 77.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.96 -1.088 . . . . 0.0 108.582 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.08 78.98 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 -16.3 45.87 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.74 15.04 54.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 70.2 m -153.57 156.53 38.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.285 -1.127 . . . . 0.0 109.976 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -138.17 123.69 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.426 -0.797 . . . . 0.0 109.473 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -79.65 142.25 35.73 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.492 -0.755 . . . . 0.0 109.467 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -56.78 -19.24 16.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.186 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 96.3 p -66.23 -45.24 81.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 110.28 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -64.42 -49.43 71.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.959 -1.088 . . . . 0.0 110.162 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.587 ' OE1' HD21 ' A' ' 61' ' ' LEU . 84.6 mt-30 -55.59 -50.77 69.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.951 -1.093 . . . . 0.0 109.638 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.62 -49.04 78.93 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.396 -0.815 . . . . 0.0 110.765 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -70.64 -30.76 67.47 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.127 -0.983 . . . . 0.0 110.76 -178.554 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 42' ' ' LEU . 31.8 t80 -84.7 -22.63 29.69 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 109.995 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.13 16.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.095 -1.003 . . . . 0.0 110.206 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -59.22 -34.67 72.46 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.553 -1.342 . . . . 0.0 108.204 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -57.93 -40.31 80.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.211 -0.931 . . . . 0.0 110.819 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 38' ' ' TYR . 16.9 mt -72.27 -57.1 4.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.837 -1.164 . . . . 0.0 111.202 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.45 -16.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.087 -1.008 . . . . 0.0 110.558 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -93.07 25.68 3.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.815 -1.178 . . . . 0.0 109.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -119.05 163.15 17.41 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -85.44 -5.95 59.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.208 -0.932 . . . . 0.0 110.686 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 3.3 m-85 -80.78 110.53 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.782 -1.199 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.896 HD22 ' NH2' ' A' ' 52' ' ' ARG . 19.9 t-20 -49.34 -48.5 46.54 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.924 -1.11 . . . . 0.0 110.1 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 2.6 p30 -50.68 -31.9 17.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.044 . . . . 0.0 111.187 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 51' ' ' ILE . 1.9 p30 -73.92 -31.62 63.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.712 -1.243 . . . . 0.0 109.655 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 7.0 mt -76.2 -50.32 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.133 -0.979 . . . . 0.0 109.66 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.896 ' NH2' HD22 ' A' ' 48' ' ' ASN . 3.3 mtt-85 -53.56 -54.97 29.83 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -64.43 -35.09 79.78 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.87 -38.14 88.92 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.55 -38.57 81.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 120.826 -1.396 . . . . 0.0 109.128 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.1 t -60.24 -45.03 96.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.3 mt -50.34 -46.17 55.49 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.702 -0.624 . . . . 0.0 109.578 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.93 -47.08 63.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -53.79 -44.79 70.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.159 -0.963 . . . . 0.0 110.104 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -61.08 -31.56 71.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.152 -0.968 . . . . 0.0 110.032 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.587 HD21 ' OE1' ' A' ' 35' ' ' GLN . 96.0 mt -76.57 -28.91 56.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.928 . . . . 0.0 111.584 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.54 -54.48 38.85 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.785 -1.197 . . . . 0.0 111.359 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.8 Cg_exo -53.47 -21.03 17.25 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 120.412 0.741 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -114.73 12.07 16.99 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.362 -0.836 . . . . 0.0 110.56 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.54 149.59 19.43 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.413 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 5.2 m -68.47 -167.61 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.942 -1.328 . . . . 0.0 108.524 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.59 -47.0 28.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.642 -1.286 . . . . 0.0 109.075 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 20.1 mp0 -64.46 -35.92 82.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 109.358 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 66' ' ' SER . 50.3 mt-10 -66.79 -34.18 77.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.41 -45.58 91.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 108.948 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -61.6 -29.01 69.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.0 108.425 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.6 m-20 -78.79 -47.5 16.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.837 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.7 m-85 -53.02 -42.65 65.87 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -36.0 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 109.002 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -59.39 -50.21 74.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.45 -0.781 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.88 -39.56 79.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.772 -1.205 . . . . 0.0 109.963 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -59.37 -38.75 81.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.869 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.08 70.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.017 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' CG1' ' NH2' ' A' ' 83' ' ' ARG . 95.7 t -76.05 -45.2 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.277 -0.89 . . . . 0.0 109.782 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.81 -40.49 93.73 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.478 HD21 ' HB3' ' A' ' 89' ' ' LYS . 2.8 m120 -69.26 -28.6 66.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -1.128 . . . . 0.0 109.751 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -69.76 -30.18 67.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 83' ' ' ARG . 4.0 mtt-85 -71.93 -43.07 65.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.246 -0.909 . . . . 0.0 109.712 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 86' ' ' GLU . 61.3 mt -65.65 17.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.115 -0.991 . . . . 0.0 110.567 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 83' ' ' ARG . 18.6 tptt 68.46 -5.49 0.93 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.864 -1.148 . . . . 0.0 109.291 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 84' ' ' LEU . 14.5 mm-40 -75.28 95.04 3.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.227 -0.921 . . . . 0.0 109.664 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -85.31 -31.67 22.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.488 -0.758 . . . . 0.0 109.674 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.42 -41.84 93.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.18 -0.95 . . . . 0.0 109.953 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HB3' HD21 ' A' ' 81' ' ' ASN . 12.1 mptt -76.53 -47.29 23.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.91 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.27 69.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.109 -0.995 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -57.15 -54.6 44.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.771 -1.206 . . . . 0.0 108.138 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -45.07 -33.41 2.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.639 -0.663 . . . . 0.0 109.319 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -76.9 -47.3 21.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 108.833 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.58 -28.95 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 HH12 ' CG ' ' A' ' 111' ' ' GLU . 2.8 mpt_? -64.67 -47.39 78.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.59 -1.319 . . . . 0.0 108.756 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.96 -27.6 73.63 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 41.9 tp -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.293 -1.122 . . . . 0.0 108.874 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -76.7 -35.43 57.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.84 -1.162 . . . . 0.0 109.623 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.14 -27.91 16.04 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 30.0 p -88.96 -45.99 9.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.61 0.719 . . . . 0.0 109.149 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -132.71 77.34 69.35 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.933 -0.479 . . . . 0.0 109.973 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.18 -17.77 60.97 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.257 1.305 . . . . 0.0 109.545 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -81.53 -3.2 52.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.298 -0.876 . . . . 0.0 109.706 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -76.03 105.36 7.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.09 -1.006 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -73.45 -38.94 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.64 -34.68 67.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -69.41 -34.58 74.7 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 109.282 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.04 -36.44 77.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.225 -0.922 . . . . 0.0 109.078 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -53.95 52.34 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.916 0.865 . . . . 0.0 108.997 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 25.9 tp -51.11 -39.58 56.5 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 115' ' ' ASP . 6.4 tm-20 -63.86 -30.78 71.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.0 109.446 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -72.13 -43.63 64.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.186 -0.946 . . . . 0.0 109.61 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.66 -47.08 83.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 109.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.504 HG21 ' CD1' ' A' ' 91' ' ' LEU . 56.3 mt -68.94 -52.46 34.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.61 -0.681 . . . . 0.0 109.679 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -57.33 -45.22 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.0 109.822 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.85 -35.24 63.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.181 -0.949 . . . . 0.0 109.716 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.33 59.78 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtp -49.51 -48.57 47.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.635 -0.665 . . . . 0.0 110.829 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.5 mptm? . . . . . 0 N--CA 1.492 1.626 0 O-C-N 120.453 -1.404 . . . . 0.0 109.396 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.302 0.572 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -68.43 135.11 51.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.21 -0.932 . . . . 0.0 109.082 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.84 -23.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -0.891 . . . . 0.0 108.759 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 44.9 mt-10 -69.61 -44.93 69.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.372 -0.83 . . . . 0.0 109.088 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.08 -48.31 71.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 110.494 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.08 90.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.954 -1.091 . . . . 0.0 110.002 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.0 mt -76.71 -37.5 55.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.86 -1.15 . . . . 0.0 109.871 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.8 ttpt -52.52 -53.31 47.75 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.795 -1.191 . . . . 0.0 108.599 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.9 m-85 -65.53 -28.27 69.05 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.702 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -71.77 -36.19 70.28 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -55.25 -41.96 72.84 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.74 -42.19 67.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE2' ' CE ' ' A' ' 25' ' ' LYS . 38.7 t80 -52.41 -48.35 65.76 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.65 -49.93 35.34 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 p -58.97 -39.04 80.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.839 -1.163 . . . . 0.0 109.589 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' CD ' ' HG1' ' A' ' 34' ' ' THR . 38.5 mt-10 -58.81 -50.84 72.47 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 110.371 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' CE ' ' CE2' ' A' ' 21' ' ' PHE . 8.0 mttt -57.05 -37.53 71.92 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.593 -1.317 . . . . 0.0 108.567 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.53 79.32 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.94 56.48 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -156.83 153.53 28.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.29 -1.123 . . . . 0.0 110.027 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.21 125.37 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.479 -0.763 . . . . 0.0 109.295 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -80.44 141.78 34.93 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.438 -0.789 . . . . 0.0 109.544 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 61' ' ' LEU . 18.8 ttpp -57.11 -18.71 15.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.443 -0.786 . . . . 0.0 109.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 53.6 m -64.43 -48.09 76.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 0.0 110.212 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.509 ' HG1' ' CD ' ' A' ' 24' ' ' GLU . 6.7 m -64.29 -48.93 73.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 110.017 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -51.97 -49.77 62.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.131 . . . . 0.0 109.033 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -59.7 -48.99 79.49 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.47 -0.769 . . . . 0.0 110.666 -179.578 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.4 OUTLIER -70.93 -29.87 66.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.415 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 42' ' ' LEU . 49.6 t80 -83.46 -26.78 29.99 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.227 -0.921 . . . . 0.0 110.285 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.91 -51.51 18.29 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.927 -1.108 . . . . 0.0 110.331 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 13.7 p-90 -57.81 -33.99 69.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.389 -1.444 . . . . 0.0 108.001 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 88.1 m -57.38 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 109.676 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 38' ' ' TYR . 15.4 mt -79.76 -58.56 3.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.969 -1.082 . . . . 0.0 111.942 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 2.8 m -54.56 -17.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.682 -1.261 . . . . 0.0 109.681 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -93.27 16.04 14.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.947 -1.096 . . . . 0.0 109.128 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' NH2' ' A' ' 83' ' ' ARG . 6.7 p -101.24 167.91 9.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 109.56 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -90.95 -3.87 56.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.645 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.57 136.11 33.92 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.121 -0.987 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' OD1' HD21 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.72 -50.38 36.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.037 -179.475 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -51.25 -27.73 9.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.059 -1.025 . . . . 0.0 110.387 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.89 -29.95 62.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.078 . . . . 0.0 109.574 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mt -78.02 -48.84 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.91 -1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 56' ' ' VAL . 94.0 mtt180 -54.17 -55.49 27.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.13 -36.82 82.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -36.62 93.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.49 -40.79 80.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.963 -1.316 . . . . 0.0 109.105 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -57.83 -45.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -49.74 -50.04 45.78 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.837 -0.539 . . . . 0.0 109.707 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.19 -45.8 72.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 109.778 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.7 -48.9 74.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 109.968 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -54.94 -32.13 61.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.0 110.158 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' A' ' 32' ' ' LYS . 96.0 mt -76.91 -27.93 55.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.181 -0.949 . . . . 0.0 111.633 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.83 -54.1 43.92 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.75 -1.219 . . . . 0.0 111.467 -177.588 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -56.5 -25.57 59.01 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.458 0.772 . . . . 0.0 110.217 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -103.45 1.05 31.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.189 -0.944 . . . . 0.0 110.501 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.79 151.01 20.97 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t -67.39 -168.14 0.08 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -1.23 . . . . 0.0 108.567 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.09 -47.12 25.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.678 -1.264 . . . . 0.0 109.179 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.12 -49.85 76.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.201 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -57.63 -30.37 65.31 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -55.58 -44.45 76.9 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.09 -29.86 70.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.508 -0.745 . . . . 0.0 109.369 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -74.64 -48.28 27.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 36.8 m-85 -53.03 -38.74 62.66 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.96 -36.01 71.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.489 -0.757 . . . . 0.0 108.984 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -61.84 -50.76 70.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.586 -0.696 . . . . 0.0 110.453 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -68.33 -37.75 80.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.815 -1.178 . . . . 0.0 110.096 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.13 -45.56 92.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.08 -1.012 . . . . 0.0 110.251 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.47 71.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.958 -1.089 . . . . 0.0 109.202 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.35 -39.24 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.236 -0.915 . . . . 0.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.95 -43.55 57.63 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.57 -30.22 61.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.012 -1.287 . . . . 0.0 109.521 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.3 -45.87 90.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 109.404 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 12.3 ptm180 -75.07 -37.14 61.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.048 -1.032 . . . . 0.0 110.247 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -64.4 35.66 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -178.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 73.8 tttt 65.56 -41.13 0.32 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 110.133 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' LEU . 7.6 mm-40 -53.01 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.99 -1.069 . . . . 0.0 108.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.9 m-85 -84.98 -40.94 16.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.732 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -70.57 -41.27 72.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -0.911 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.52 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 37.4 mttp -54.35 -48.98 70.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.825 -1.172 . . . . 0.0 109.271 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.34 66.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.136 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.9 tp -70.34 -24.64 63.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.459 -0.775 . . . . 0.0 109.213 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.98 -34.01 44.56 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.21 -48.43 29.03 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.677 -0.639 . . . . 0.0 109.408 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.04 -29.75 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.388 -0.82 . . . . 0.0 109.843 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 15.7 mmm180 -70.82 -48.11 55.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.964 -1.085 . . . . 0.0 109.934 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.99 -28.06 73.36 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.8 tp -59.63 -39.35 84.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.718 -0.872 . . . . 0.0 108.792 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' ALA . 80.3 mt -77.0 -37.6 54.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.92 -1.113 . . . . 0.0 109.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.31 -26.24 7.18 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.0 p -89.49 -43.94 10.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 103' ' ' GLN . 58.9 mm-40 -130.67 76.19 77.7 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 122.037 -0.414 . . . . 0.0 110.38 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.64 42.67 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.473 1.449 . . . . 0.0 109.484 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 101' ' ' GLU . 36.7 mt-30 -141.4 -7.45 1.01 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.288 -0.882 . . . . 0.0 109.721 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -75.36 99.66 4.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.86 -40.82 96.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.885 . . . . 0.0 109.811 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -56.68 -28.95 61.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.689 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.36 -32.01 48.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.16 -50.38 22.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.317 -0.864 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.73 -30.11 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.18 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.12 -43.49 98.25 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.21 -0.931 . . . . 0.0 108.76 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -53.06 -43.25 66.54 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.112 -0.992 . . . . 0.0 108.729 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.11 -51.8 63.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.56 -52.83 63.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.335 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.5 mt -57.95 -49.8 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 0.0 110.009 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.37 -39.4 78.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 110.642 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.4 -43.13 91.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.993 -1.067 . . . . 0.0 110.795 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.27 70.15 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.623 -1.298 . . . . 0.0 108.736 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.1 mtm -49.21 -46.81 46.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 110.162 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 120.619 -1.301 . . . . 0.0 109.117 179.563 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.267 0.556 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -72.29 133.88 45.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.199 -0.938 . . . . 0.0 108.909 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -48.46 -24.22 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.131 -0.981 . . . . 0.0 109.009 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.6 mm-40 -69.91 -45.25 67.96 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.308 -0.87 . . . . 0.0 109.739 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.89 97.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 0.0 111.053 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.09 -41.39 61.75 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.764 -1.21 . . . . 0.0 110.136 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.05 -38.6 44.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.657 -1.277 . . . . 0.0 109.585 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tmmm? -52.45 -46.71 66.58 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 108.929 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.54 -26.99 58.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.559 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -54.59 -46.33 73.76 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 26.7 mttp -60.23 -48.36 82.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.44 -39.68 64.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -51.32 19.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.186 -0.946 . . . . 0.0 110.388 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 12.1 m -63.23 -42.27 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.685 -1.26 . . . . 0.0 110.154 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -57.04 -48.1 79.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.175 -0.953 . . . . 0.0 109.863 -179.093 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.27 -34.57 77.96 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.841 -1.162 . . . . 0.0 108.895 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.94 -44.69 78.64 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -14.92 24.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.39 16.39 55.46 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 60.0 m -154.63 157.62 38.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -1.107 . . . . 0.0 109.867 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.23 123.86 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 109.652 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -75.26 152.08 38.31 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.614 0.721 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -63.9 -18.29 64.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.593 -0.692 . . . . 0.0 109.784 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -68.55 -48.59 63.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 110.112 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -64.27 -43.61 94.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.172 -0.955 . . . . 0.0 109.926 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.05 -39.67 82.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.091 -1.006 . . . . 0.0 110.179 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 1.7 m-85 -69.43 -50.9 41.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.086 -1.009 . . . . 0.0 110.647 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -72.26 -16.29 61.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.892 -1.13 . . . . 0.0 110.045 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.465 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 57.1 t80 -79.66 -32.23 41.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.182 -0.949 . . . . 0.0 108.984 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.29 -37.3 69.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.263 -0.898 . . . . 0.0 108.837 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.95 -52.55 63.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 108.247 179.52 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.7 -39.37 65.11 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.442 -0.786 . . . . 0.0 109.99 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 18.1 mt -78.45 -41.04 33.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.094 -1.004 . . . . 0.0 110.526 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 39' ' ' ALA . 90.2 t -52.93 -20.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.078 -1.013 . . . . 0.0 109.44 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -120.49 33.28 5.65 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t -87.74 174.01 8.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.084 -1.01 . . . . 0.0 109.488 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' N ' ' OG ' ' A' ' 45' ' ' SER . 46.1 mtpt -85.71 -10.98 54.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.352 -0.843 . . . . 0.0 109.44 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.2 140.54 34.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.878 . . . . 0.0 109.425 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.514 HD22 HD22 ' A' ' 84' ' ' LEU . 28.1 t-20 -71.33 -49.0 46.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.224 -0.922 . . . . 0.0 109.795 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.41 -26.23 7.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.049 -1.032 . . . . 0.0 110.221 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.6 -31.34 71.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 0.0 108.896 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -79.05 -44.64 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.005 -1.059 . . . . 0.0 108.945 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.3 mtt180 -54.48 -31.09 55.09 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -82.02 -44.3 16.83 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.73 94.89 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -41.98 90.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 O-C-N 120.957 -1.319 . . . . 0.0 109.105 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 52' ' ' ARG . 79.6 t -62.93 -47.81 91.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' LEU . 32.7 mt -49.53 -45.24 47.12 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.873 -0.517 . . . . 0.0 109.707 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.23 -45.77 54.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.958 -1.089 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -51.94 -43.51 63.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.146 -0.971 . . . . 0.0 110.213 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.152 -0.968 . . . . 0.0 110.51 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.7 -29.45 56.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.002 -1.062 . . . . 0.0 111.324 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -50.78 -55.15 29.37 Favored Pre-proline 0 N--CA 1.486 1.359 0 O-C-N 120.664 -1.273 . . . . 0.0 111.077 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -54.51 -26.56 45.74 Favored 'Trans proline' 0 C--N 1.322 -0.853 0 N-CA-C 110.004 -0.806 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -97.37 37.19 1.37 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.252 -0.905 . . . . 0.0 109.576 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.88 26.06 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -75.95 -170.27 1.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.17 -39.47 63.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 2.2 tm-20 -72.59 -46.5 53.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.588 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -56.3 -29.81 61.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -73.6 -38.2 65.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.3 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 71' ' ' ARG . 3.0 mtt-85 -52.47 -37.44 57.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.181 -0.949 . . . . 0.0 109.796 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD2' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -76.15 -51.63 11.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.991 -1.068 . . . . 0.0 109.863 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.521 ' CE1' ' OD2' ' A' ' 72' ' ' ASP . 2.7 m-85 -55.95 -39.0 71.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.886 -1.134 . . . . 0.0 109.399 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.43 -36.43 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 108.732 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -58.5 -45.53 88.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.613 -0.68 . . . . 0.0 110.227 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -71.04 -35.98 72.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.857 -1.152 . . . . 0.0 110.106 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.28 -44.95 94.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.614 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.84 -34.08 75.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.083 -1.011 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.73 -37.87 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.46 -43.41 53.66 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.03 -28.51 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.23 -1.159 . . . . 0.0 109.471 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.8 t80 -70.44 -30.37 67.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.009 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -69.58 -41.45 75.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.543 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 48' ' ' ASN . 65.4 mt -71.51 33.66 0.05 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 83' ' ' ARG . 50.9 mtpt 51.62 8.16 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.866 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' LEU . 11.3 tp10 -84.94 96.09 9.25 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.12 -0.988 . . . . 0.0 109.092 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -85.77 -36.22 20.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.27 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.1 mp0 -64.25 -38.92 92.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 110.14 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.64 -49.1 17.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.294 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.38 69.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.539 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.4 mp -54.89 -52.81 61.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 108.777 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -44.85 -35.83 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 109.467 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.93 -48.44 21.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 109.08 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -30.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -0.853 . . . . 0.0 109.788 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.465 ' NH1' ' CD ' ' A' ' 111' ' ' GLU . 3.1 mpt_? -60.72 -48.08 83.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.496 -1.378 . . . . 0.0 108.577 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.88 -28.92 73.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.499 ' O ' ' OG1' ' A' ' 100' ' ' THR . 63.8 tp -63.02 -35.72 81.15 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.168 -1.195 . . . . 0.0 109.084 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.74 -28.04 55.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.856 -1.153 . . . . 0.0 109.769 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -27.98 65.73 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 62.0 p -87.16 -51.18 6.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.622 -0.674 . . . . 0.0 109.672 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -132.11 77.85 70.35 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.77 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -63.48 -20.49 69.89 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.396 1.397 . . . . 0.0 110.443 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -85.23 2.93 41.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.043 -1.036 . . . . 0.0 109.714 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -73.58 111.89 9.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.139 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -70.79 -39.67 72.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.802 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -56.23 -49.04 75.26 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.172 -0.955 . . . . 0.0 109.443 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.18 82.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 0.0 109.348 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -58.4 -39.73 80.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.247 -0.908 . . . . 0.0 108.999 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.41 -51.61 69.16 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.349 -0.844 . . . . 0.0 109.199 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.72 -42.99 62.68 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.497 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' NH1' ' A' ' 95' ' ' ARG . 34.9 tt0 -61.35 -37.23 82.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -60.72 -47.26 87.09 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.314 -0.866 . . . . 0.0 109.726 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -57.64 -43.83 85.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.539 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.1 mt -70.99 -52.0 31.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.368 -0.832 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.88 -45.49 74.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.358 -0.839 . . . . 0.0 109.657 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -55.55 -51.9 65.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.085 -1.009 . . . . 0.0 109.409 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.98 78.1 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 69.2 mtp -50.31 -47.52 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.686 . . . . 0.0 110.764 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 120.588 -1.32 . . . . 0.0 109.721 -179.639 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.426 0.631 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -69.04 138.55 54.53 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.261 -0.9 . . . . 0.0 108.689 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.76 -24.1 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.294 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -70.58 -47.16 61.61 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.088 -1.007 . . . . 0.0 109.092 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.97 -37.63 86.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.279 -0.888 . . . . 0.0 110.333 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -50.08 57.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.53 -27.51 61.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 109.385 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -51.85 -54.11 32.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 108.99 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.45 -25.66 64.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.137 -0.977 . . . . 0.0 108.753 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 18' ' ' GLU . 1.2 tm-20 -71.14 -35.43 71.69 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -55.28 -45.19 76.17 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.05 78.49 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.415 -0.803 . . . . 0.0 109.03 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -53.09 -35.35 59.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.389 -0.819 . . . . 0.0 109.561 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.5 -50.73 23.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.611 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -56.22 -49.12 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 110.214 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 29' ' ' SER . 33.3 mt-10 -61.0 -50.19 74.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.871 -1.143 . . . . 0.0 108.405 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -58.56 -44.06 89.56 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.16 66.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 -13.11 62.12 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.54 13.81 54.63 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p -149.38 134.77 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -1.044 . . . . 0.0 109.007 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -117.49 122.72 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.552 -0.718 . . . . 0.0 109.433 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 34' ' ' THR . 6.9 t -65.75 157.47 30.16 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.408 -0.807 . . . . 0.0 110.538 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 6.4 ttpm? -72.11 -25.06 61.59 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 t -74.49 -32.66 62.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.647 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 31' ' ' SER . 1.5 p -64.06 -50.7 67.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 108.805 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.32 -49.2 78.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 108.713 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.28 -53.9 52.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.519 -0.738 . . . . 0.0 111.35 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -75.17 -16.44 60.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.966 -1.084 . . . . 0.0 110.656 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 40.1 t80 -77.43 -35.13 54.32 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.794 -1.191 . . . . 0.0 109.214 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.8 -38.2 67.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.123 -0.986 . . . . 0.0 109.261 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.39 -47.32 76.05 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.58 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 m -55.47 -40.58 71.8 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.802 -0.562 . . . . 0.0 109.848 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 17.9 mt -77.59 -40.63 41.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.149 -0.969 . . . . 0.0 110.737 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 39' ' ' ALA . 47.7 t -53.92 -27.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 O-C-N 120.781 -1.199 . . . . 0.0 109.852 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -96.48 19.81 11.59 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.34 -0.85 . . . . 0.0 109.218 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -85.34 147.67 26.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.261 -0.899 . . . . 0.0 109.561 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -74.95 -4.58 38.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.81 135.82 39.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.4 -0.812 . . . . 0.0 109.319 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -70.72 -41.71 71.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.351 -0.843 . . . . 0.0 110.398 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.02 -32.22 61.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.909 -1.119 . . . . 0.0 110.358 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.55 -31.61 62.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.052 . . . . 0.0 109.121 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -77.51 -48.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.018 -1.051 . . . . 0.0 108.379 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.09 -43.89 64.13 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -70.56 -41.75 72.03 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.22 72.42 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.8 -50.65 47.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.187 -1.184 . . . . 0.0 109.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.19 -47.81 55.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 44.0 mt -50.32 -50.07 51.93 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.718 -0.613 . . . . 0.0 109.484 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.78 -46.51 78.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.958 -1.089 . . . . 0.0 109.408 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -52.51 -39.42 61.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.952 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.36 -33.54 75.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.978 . . . . 0.0 109.743 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -77.48 -28.06 52.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 mt -50.66 -54.6 34.2 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.903 -1.123 . . . . 0.0 111.516 -177.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.3 Cg_exo -54.94 -16.5 11.99 Favored 'Trans proline' 0 C--N 1.318 -1.078 0 C-N-CA 120.542 0.828 . . . . 0.0 110.457 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.87 -14.68 15.14 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.203 -0.936 . . . . 0.0 110.448 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.06 161.67 41.83 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -97.74 -178.06 3.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.094 -1.239 . . . . 0.0 108.986 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -53.17 -45.17 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.943 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.24 -50.08 75.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.056 . . . . 0.0 109.53 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 17.7 mp0 -65.33 -37.28 86.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.205 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 74' ' ' VAL . 64.4 mt-30 -53.46 -51.44 62.69 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -50.67 -35.31 30.2 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.269 -0.894 . . . . 0.0 108.972 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.61 -47.15 27.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.676 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 m-85 -58.75 -46.15 88.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.085 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 70' ' ' GLN . 62.0 t -57.98 -32.39 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.15 -49.69 66.55 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -73.12 -37.87 66.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 110.504 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.536 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 39.6 mt -61.39 -27.54 68.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.932 -1.105 . . . . 0.0 109.797 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.04 50.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.137 -0.977 . . . . 0.0 109.54 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.43 -41.52 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.544 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.28 -43.72 92.29 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 69.0 m-20 -69.19 -36.42 77.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -1.233 . . . . 0.0 109.824 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -59.21 -30.46 68.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.103 -0.998 . . . . 0.0 109.223 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 85' ' ' LYS . 53.0 mtp180 -73.6 -41.93 62.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 109.826 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.43 ' C ' ' H ' ' A' ' 86' ' ' GLU . 42.9 mt -73.11 29.24 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.077 -1.015 . . . . 0.0 109.871 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' ARG . 7.2 mtmp? 57.64 5.5 0.33 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.866 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.94 88.67 4.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.126 -0.984 . . . . 0.0 109.091 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -84.4 -38.84 19.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.394 -0.816 . . . . 0.0 109.389 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 18.7 mp0 -61.25 -47.99 83.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.0 109.93 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.1 -46.11 30.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.125 -0.985 . . . . 0.0 110.151 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.68 68.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 110.077 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 114' ' ' ILE . 3.7 mp -57.52 -56.62 19.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 108.75 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' LEU . 62.0 mttp -41.46 -36.74 0.92 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.496 -177.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 54.4 m-85 -74.4 -50.02 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.705 -1.247 . . . . 0.0 108.885 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -42.09 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.864 -1.147 . . . . 0.0 108.548 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -53.71 -26.41 22.86 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.628 -1.295 . . . . 0.0 107.59 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.51 -32.1 62.38 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' O ' ' OG1' ' A' ' 100' ' ' THR . 3.5 mm? -60.49 -39.54 88.05 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.869 -1.371 . . . . 0.0 108.909 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 100' ' ' THR . 9.4 mt -76.56 -50.46 13.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 110.52 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -14.54 2.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.681 -1.262 . . . . 0.0 107.787 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 7.3 p -101.87 -46.85 4.78 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 103' ' ' GLN . 44.9 mt-10 -136.4 79.6 41.76 Favored Pre-proline 0 N--CA 1.497 1.917 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.76 43.44 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.542 1.494 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 101' ' ' GLU . 67.7 mt-30 -151.51 -4.34 0.28 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.215 -0.928 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 104' ' ' ASN . 1.3 p30 -79.03 106.61 11.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.868 -1.145 . . . . 0.0 109.361 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 10.2 p-10 -63.4 -36.71 84.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 0.0 110.05 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -56.84 -38.23 72.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.108 -0.995 . . . . 0.0 109.738 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.12 -35.62 48.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.093 -1.004 . . . . 0.0 109.353 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.26 -50.3 28.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 0.0 109.629 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.62 -32.94 69.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.81 -40.61 92.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.893 . . . . 0.0 108.939 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.55 -32.54 73.52 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.237 -0.914 . . . . 0.0 109.178 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -61.67 -41.34 97.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.295 -0.878 . . . . 0.0 109.238 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.19 -43.75 98.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.127 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.6 HG21 ' CD1' ' A' ' 91' ' ' LEU . 65.0 mt -70.72 -43.54 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.445 -0.784 . . . . 0.0 109.779 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.3 -50.4 67.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.305 -0.872 . . . . 0.0 109.846 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -56.63 -53.08 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.015 -1.053 . . . . 0.0 109.863 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.96 -49.28 78.45 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.84 -49.7 28.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.658 -0.651 . . . . 0.0 110.36 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.8 mttm . . . . . 0 N--CA 1.49 1.557 0 O-C-N 120.621 -1.299 . . . . 0.0 109.5 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.361 0.6 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -84.95 134.09 34.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.035 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.49 -23.45 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.8 mm-40 -69.5 -45.1 69.71 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.37 -0.831 . . . . 0.0 109.096 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.72 -49.68 61.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.59 -48.07 83.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.921 -1.112 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.26 -36.33 61.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.776 -1.202 . . . . 0.0 109.885 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.0 tmmm? -52.19 -38.02 56.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.774 -1.204 . . . . 0.0 108.37 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -74.41 -29.76 61.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.289 -0.882 . . . . 0.0 108.792 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -65.61 -41.37 92.83 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -54.4 -46.54 73.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.28 -48.58 67.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.148 -0.97 . . . . 0.0 108.438 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -53.49 -45.21 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.361 -0.837 . . . . 0.0 108.768 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -71.56 -51.28 24.3 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.67 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -55.21 -39.56 69.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.587 -1.32 . . . . 0.0 108.176 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.37 -48.56 79.22 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -43.51 78.18 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.79 71.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.7 20.54 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.57 12.42 53.7 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -157.54 158.45 35.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.324 -1.104 . . . . 0.0 109.914 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.49 126.42 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.585 -0.697 . . . . 0.0 109.238 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 151.71 25.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 109.571 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -58.56 -25.3 62.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.645 -0.659 . . . . 0.0 109.587 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.0 m -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.214 -0.929 . . . . 0.0 110.85 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -70.32 -48.5 56.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.89 -1.131 . . . . 0.0 110.248 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -53.51 -50.27 65.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.988 -1.07 . . . . 0.0 109.701 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.665 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.48 -49.14 77.96 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 53.9 mt-10 -71.62 -28.79 64.03 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 0.0 110.963 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 32.6 t80 -85.49 -21.94 28.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -0.913 . . . . 0.0 110.267 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.92 -50.24 21.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.948 -1.095 . . . . 0.0 109.91 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 22.0 p-90 -60.98 -33.63 73.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.504 -1.373 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' CZ2' ' A' ' 40' ' ' TRP . 88.2 m -55.83 -40.27 72.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.065 . . . . 0.0 108.895 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -77.13 -53.88 7.21 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.272 -0.893 . . . . 0.0 109.554 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 5.9 t -50.92 -19.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 108.945 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.416 HH11 ' HB3' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -109.12 24.18 13.47 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.443 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 58.9 p -94.16 160.13 14.84 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.278 -0.889 . . . . 0.0 109.724 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -78.6 -8.23 58.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.87 . . . . 0.0 109.696 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -95.6 132.01 41.2 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -70.61 -47.31 60.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.303 -0.873 . . . . 0.0 109.821 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -49.85 -26.95 4.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 110.01 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -27.73 60.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 109.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 51' ' ' ILE . 53.4 mt -76.29 -53.05 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.042 -1.037 . . . . 0.0 110.071 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 ptm180 -54.58 -31.54 56.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.692 -1.255 . . . . 0.0 107.812 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -81.67 -39.41 24.38 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.15 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 121.137 -1.214 . . . . 0.0 108.245 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 52' ' ' ARG . 91.3 t -61.07 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.9 mt -50.55 -44.84 56.68 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.609 -0.682 . . . . 0.0 109.193 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 39' ' ' ALA . 37.0 mt -67.84 -44.85 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.025 . . . . 0.0 109.092 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.53 -33.55 60.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 109.84 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.59 -32.77 70.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.876 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.25 -29.41 57.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.14 -0.975 . . . . 0.0 111.355 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -54.08 -54.63 45.23 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.861 -1.149 . . . . 0.0 111.381 -178.151 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.0 Cg_exo -54.06 -22.81 26.27 Favored 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 120.597 0.864 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -126.85 51.12 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.306 -0.871 . . . . 0.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.59 151.88 19.07 Favored Glycine 0 N--CA 1.502 3.094 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.403 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 6.8 m -64.38 -172.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.973 -1.31 . . . . 0.0 108.958 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -74.75 -46.02 40.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.95 -1.093 . . . . 0.0 108.914 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.17 -45.56 92.84 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 66' ' ' SER . 48.8 mt-10 -56.45 -34.73 67.13 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' C ' ' HE ' ' A' ' 71' ' ' ARG . 4.2 tt0 -54.67 -38.83 67.41 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.728 ' HE ' ' N ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -71.56 -29.37 64.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.43 -52.15 17.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.039 -1.038 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.665 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 61.2 m-85 -53.12 -37.91 62.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.947 -1.096 . . . . 0.0 108.826 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.8 t -61.15 -33.9 58.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.74 -50.3 58.03 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.594 -0.691 . . . . 0.0 110.044 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.35 -38.42 74.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.779 -1.201 . . . . 0.0 110.003 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 59.5 mt -59.98 -38.79 83.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.022 -1.049 . . . . 0.0 109.602 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.83 72.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.038 -1.039 . . . . 0.0 109.031 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.83 -46.78 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.6 -38.92 96.64 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-80 -71.45 -27.91 63.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -1.173 . . . . 0.0 109.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.7 t80 -68.1 -29.56 68.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -74.19 -47.92 32.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 109.845 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 86' ' ' GLU . 37.2 mt -70.35 31.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.098 -1.001 . . . . 0.0 110.203 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.5 mttp 54.86 3.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 110.269 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 84' ' ' LEU . 80.1 mt-10 -78.09 88.08 4.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.24 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.22 -38.03 21.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 109.805 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.51 -50.62 72.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.135 -0.978 . . . . 0.0 109.883 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.268 -0.895 . . . . 0.0 109.85 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.93 86.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -76.07 -19.31 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 0.0 109.392 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -73.16 -35.98 66.54 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.58 -41.37 60.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.826 -0.546 . . . . 0.0 109.778 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.78 -30.62 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.166 -0.959 . . . . 0.0 110.77 -178.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.551 ' CG ' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -64.45 -48.57 74.79 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.947 -1.721 . . . . 0.0 108.275 179.462 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.29 -27.66 72.68 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 36.3 tp -62.57 -37.43 86.14 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.212 -1.169 . . . . 0.0 109.045 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.53 -35.93 58.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.922 -1.111 . . . . 0.0 109.387 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -54.38 -24.01 17.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 40.2 p -96.45 -48.15 5.68 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.75 77.6 75.28 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.785 -0.572 . . . . 0.0 109.996 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 2.1 Cg_endo -65.99 -15.28 48.12 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.492 1.462 . . . . 0.0 109.631 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -88.54 -3.35 58.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.374 -0.829 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.11 103.88 4.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 0.0 109.414 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -70.04 -39.46 75.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.524 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -55.59 -28.84 57.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.09 . . . . 0.0 109.368 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.16 38.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.342 -0.849 . . . . 0.0 109.203 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 55.6 mttp -57.9 -40.63 80.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.89 . . . . 0.0 109.386 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.79 -51.24 70.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.7 tp -51.68 -41.61 61.55 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.388 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.64 -33.62 76.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.05 -1.031 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.6 -48.11 42.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 110.19 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.2 mt -56.74 -46.53 81.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 0.0 109.154 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 91' ' ' LEU . 43.9 mt -68.6 -50.3 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 119' ' ' LYS . 6.6 t70 -54.64 -43.94 72.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.776 . . . . 0.0 110.174 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.63 -53.41 57.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.982 -1.074 . . . . 0.0 109.915 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.7 80.63 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.99 -43.69 29.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.711 -0.618 . . . . 0.0 111.314 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 23.6 mmtm . . . . . 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 109.969 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 121.35 0.595 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 m -48.48 119.29 2.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.367 -0.833 . . . . 0.0 109.56 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.82 -24.84 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.3 mm-40 -67.4 -47.5 70.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 11.3 t70 -67.62 -45.22 76.05 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 108.982 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 14' ' ' LEU . 1.8 tm? -59.32 -50.16 75.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.409 -0.807 . . . . 0.0 109.657 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.0 -39.63 55.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.78 -1.2 . . . . 0.0 109.984 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.1 tmmm? -52.61 -48.81 66.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.763 -1.211 . . . . 0.0 108.798 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.05 -30.19 69.34 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.7 -41.83 78.57 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -56.39 -40.66 74.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -61.67 -49.34 76.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.3 -0.875 . . . . 0.0 109.03 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.16 -35.95 62.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.212 -0.93 . . . . 0.0 109.106 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -72.79 -52.36 15.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.417 -0.802 . . . . 0.0 109.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t -65.81 -45.95 80.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.827 -1.171 . . . . 0.0 110.002 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -59.8 -42.12 92.71 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.073 -1.017 . . . . 0.0 108.667 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -69.78 -38.99 76.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.81 71.37 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -16.26 22.27 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.07 16.46 50.76 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' GLU . 57.8 m -154.12 123.38 6.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.55 -0.971 . . . . 0.0 109.062 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.47 125.62 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.449 -0.782 . . . . 0.0 109.9 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.4 p -74.17 134.36 42.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.456 -0.778 . . . . 0.0 109.396 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.63 -19.08 14.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.359 -0.838 . . . . 0.0 109.286 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.2 t -75.25 -38.66 60.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.375 -0.828 . . . . 0.0 110.439 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -64.58 -48.84 73.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.959 -1.088 . . . . 0.0 110.16 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 61' ' ' LEU . 96.1 mt-30 -59.14 -40.9 86.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.932 -1.105 . . . . 0.0 109.45 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.699 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -64.95 -50.21 67.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.406 -0.809 . . . . 0.0 110.52 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -68.93 -23.86 64.21 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.99 0.9 . . . . 0.0 110.51 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.4 t80 -81.16 -29.62 34.64 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.533 -0.729 . . . . 0.0 110.699 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.47 -51.72 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.78 -1.2 . . . . 0.0 110.612 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -57.7 -32.91 67.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 117.555 -1.658 . . . . 0.0 108.219 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.484 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -56.15 -42.23 76.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.842 -1.161 . . . . 0.0 109.243 178.536 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 mt -78.06 -49.02 14.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.13 -0.981 . . . . 0.0 110.416 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 39' ' ' ALA . 25.2 t -49.67 -19.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.24 -0.912 . . . . 0.0 109.465 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -94.67 12.84 26.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 52.7 p -96.04 159.43 14.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 36.4 mtmt -97.65 53.07 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.173 -0.954 . . . . 0.0 109.766 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 59.2 m-85 -149.98 119.49 6.93 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 108.845 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -50.14 -48.98 53.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 111.138 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -51.99 -45.12 64.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.734 -1.229 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.777 -1.202 . . . . 0.0 109.785 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.24 -41.29 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.868 -1.145 . . . . 0.0 109.035 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -51.99 -31.28 28.74 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -73.09 -40.39 65.03 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.72 -39.27 66.63 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.67 -54.75 30.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.012 -1.287 . . . . 0.0 109.181 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.69 -51.99 66.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 CA-C-O 121.353 0.597 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.85 -47.74 60.21 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.36 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.45 -45.4 38.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 110.077 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.15 -51.66 69.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.794 -1.191 . . . . 0.0 109.481 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.18 -32.22 46.76 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.002 -1.061 . . . . 0.0 109.399 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.434 HD21 ' OE1' ' A' ' 35' ' ' GLN . 47.9 mt -76.95 -27.79 54.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.531 -0.73 . . . . 0.0 111.343 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 mt -50.27 -54.34 35.14 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.705 -1.247 . . . . 0.0 111.541 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -55.98 -21.07 32.45 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 N-CA-C 109.92 -0.838 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -103.39 5.22 37.02 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.337 -0.852 . . . . 0.0 110.968 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.49 146.94 17.43 Favored Glycine 0 N--CA 1.503 3.145 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -70.88 -163.18 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.015 -1.285 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 67' ' ' LYS . 12.3 mptt -74.89 -45.73 40.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.83 -1.168 . . . . 0.0 109.141 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.75 -31.18 70.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.07 -1.019 . . . . 0.0 108.463 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.86 -38.48 79.78 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . 30.7 mt-30 -54.75 -49.65 70.32 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.505 ' NH2' ' OE2' ' A' ' 101' ' ' GLU . 38.0 mtp180 -52.22 -37.3 54.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.312 -0.868 . . . . 0.0 109.129 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -77.62 -51.68 10.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.003 -1.06 . . . . 0.0 109.306 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.699 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 30.9 m-85 -56.14 -43.79 78.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 108.667 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 70' ' ' GLN . 61.7 t -60.61 -33.63 55.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.99 -49.81 64.21 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.658 -0.651 . . . . 0.0 110.215 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -70.01 -39.14 76.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.848 -1.157 . . . . 0.0 109.938 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.48 -45.02 95.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.956 -1.09 . . . . 0.0 109.702 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.84 69.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.823 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.67 -41.88 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.528 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.37 -44.37 84.95 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.71 -27.33 68.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -1.218 . . . . 0.0 109.249 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.64 -29.72 66.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 108.936 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 20.7 mmm180 -73.08 -47.69 42.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.364 -0.835 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.6 mt -68.86 27.91 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 68.3 mttt 57.02 1.74 0.1 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.041 . . . . 0.0 109.974 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 64.8 mm-40 -76.81 87.0 3.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 109.006 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 6.6 m-85 -79.07 -36.55 40.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.919 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.6 mp0 -62.74 -50.17 72.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.96 . . . . 0.0 110.153 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -66.99 -36.02 81.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.158 -0.964 . . . . 0.0 110.112 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.33 46.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.147 -0.971 . . . . 0.0 109.912 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.51 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -59.63 -20.53 56.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.032 -1.042 . . . . 0.0 109.306 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.41 -36.22 63.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 108.003 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.21 -38.88 55.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.722 -0.611 . . . . 0.0 109.668 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -34.4 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.216 -0.928 . . . . 0.0 110.543 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -65.29 -48.09 74.36 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.316 -1.49 . . . . 0.0 109.414 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.21 -28.16 73.65 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' O ' ' OG1' ' A' ' 100' ' ' THR . 55.6 tp -61.75 -36.56 81.37 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.284 -1.127 . . . . 0.0 108.978 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.41 -33.83 60.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.304 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -52.71 -29.53 27.35 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 28.3 p -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.616 0.722 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.505 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 36.1 mt-10 -130.23 78.23 74.89 Favored Pre-proline 0 N--CA 1.501 2.091 0 O-C-N 121.931 -0.481 . . . . 0.0 110.228 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.59 -17.58 60.03 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.59 1.526 . . . . 0.0 110.472 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.1 10.03 37.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.067 -1.021 . . . . 0.0 110.337 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 27.3 t-20 -81.65 112.83 19.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.89 -1.131 . . . . 0.0 109.479 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.99 -43.27 71.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 110.681 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -56.4 -33.29 65.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.085 . . . . 0.0 109.93 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 104' ' ' ASN . . . -79.44 -38.72 34.02 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.094 -1.004 . . . . 0.0 109.541 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -68.1 -46.35 71.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 110.007 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.15 -37.63 83.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.057 -1.027 . . . . 0.0 109.438 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.31 -41.14 96.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.56 -28.85 68.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.198 -0.938 . . . . 0.0 109.347 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -71.61 -44.59 64.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.703 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.178 -0.951 . . . . 0.0 109.164 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.51 HG21 ' CD1' ' A' ' 91' ' ' LEU . 39.0 mt -65.18 -52.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.509 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -40.2 68.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -55.51 -48.06 75.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.41 -49.15 78.33 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.484 ' SD ' ' CD2' ' A' ' 87' ' ' TYR . 24.9 mmm -48.11 -48.8 33.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.486 -0.759 . . . . 0.0 110.207 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 N--CA 1.49 1.533 0 O-C-N 120.559 -1.338 . . . . 0.0 109.315 179.65 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 m -65.67 135.62 55.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.358 -0.838 . . . . 0.0 109.384 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.74 -29.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.069 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.65 -42.16 95.61 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.068 -1.02 . . . . 0.0 108.763 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.31 -43.66 77.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.434 -0.791 . . . . 0.0 109.931 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -43.62 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.88 -1.138 . . . . 0.0 109.82 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.41 -37.68 56.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.775 -1.203 . . . . 0.0 109.186 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.89 63.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.945 . . . . 0.0 108.676 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -71.5 -27.58 63.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.59 -38.35 74.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 0.0 108.522 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -54.11 -46.43 72.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -56.47 -48.44 77.11 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.101 -0.999 . . . . 0.0 108.768 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.35 -32.24 66.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.19 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.27 -52.91 10.91 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.85 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.19 -50.65 72.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.666 -1.271 . . . . 0.0 109.931 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 29' ' ' SER . 12.0 mm-40 -57.43 -52.1 66.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.135 -0.978 . . . . 0.0 108.797 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -58.38 -38.09 76.6 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.327 -0.858 . . . . 0.0 109.433 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.93 -40.71 70.2 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -15.25 17.75 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.79 47.47 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -151.59 159.42 44.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.99 . . . . 0.0 108.949 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -137.75 125.34 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.366 -0.834 . . . . 0.0 109.351 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -75.19 140.9 43.61 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.395 -0.816 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.06 -35.44 64.53 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.417 -0.802 . . . . 0.0 108.974 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.6 m -53.47 -35.98 61.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.934 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -49.03 16.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.102 -0.998 . . . . 0.0 109.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' HD21 ' A' ' 61' ' ' LEU . 7.6 tt0 -58.98 -38.29 78.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.25 -53.01 27.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 110.296 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.83 -16.82 60.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.017 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.42 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 30.7 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.044 -1.035 . . . . 0.0 109.126 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.091 -1.006 . . . . 0.0 109.03 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.7 -44.98 77.91 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.331 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.7 m -54.46 -43.92 72.1 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.634 -0.666 . . . . 0.0 110.408 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 mt -76.96 -39.75 49.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.905 -1.122 . . . . 0.0 110.459 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' ALA . 62.0 t -52.74 -21.29 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.059 -1.025 . . . . 0.0 109.763 -179.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -108.63 28.51 8.32 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 p -86.08 161.56 18.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.655 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -82.91 -6.28 59.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -106.85 140.23 40.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -71.11 -45.0 64.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.351 -0.843 . . . . 0.0 110.309 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.01 -35.82 36.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.88 -32.05 63.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.843 -1.16 . . . . 0.0 108.934 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.83 -47.84 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.976 -1.078 . . . . 0.0 108.709 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.5 OUTLIER -52.47 -38.38 59.24 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -71.33 -36.58 71.61 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.13 -39.27 97.77 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.8 -33.23 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.892 -1.358 . . . . 0.0 108.111 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.92 -50.06 51.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.7 mt -48.68 -50.22 34.2 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.75 -45.33 90.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.024 -1.047 . . . . 0.0 109.545 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.76 -43.4 80.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.064 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.83 -34.74 65.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.139 -0.976 . . . . 0.0 110.256 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD21 ' NE2' ' A' ' 35' ' ' GLN . 20.9 mt -77.98 -27.46 49.09 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.207 -0.933 . . . . 0.0 111.687 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -49.64 -53.77 38.02 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.69 -1.257 . . . . 0.0 111.169 -177.493 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.7 Cg_exo -58.6 -21.07 53.26 Favored 'Trans proline' 0 C--N 1.315 -1.196 0 N-CA-C 110.018 -0.801 . . . . 0.0 110.018 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -106.84 -5.93 18.03 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.306 -0.871 . . . . 0.0 111.407 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 149.1 23.57 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.051 -1.264 . . . . 0.0 109.054 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.06 -46.49 28.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.755 -1.216 . . . . 0.0 109.477 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.412 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 6.3 mp0 -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.73 -49.19 78.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.934 -1.104 . . . . 0.0 108.505 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.26 -33.2 40.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.19 -0.944 . . . . 0.0 108.905 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.02 -47.42 20.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.284 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.1 m-85 -54.31 -45.05 72.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.75 -33.52 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.145 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 66.1 t80 -63.93 -50.47 68.54 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.717 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -68.8 -35.25 76.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.673 -1.267 . . . . 0.0 110.044 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.44 -44.71 92.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.107 -0.995 . . . . 0.0 109.427 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.82 71.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.086 -1.009 . . . . 0.0 108.891 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.43 -46.2 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.874 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.15 94.76 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.21 -28.49 67.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -1.189 . . . . 0.0 109.505 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 4.0 t80 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.544 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.68 -42.41 58.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 110.096 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.53 ' C ' ' H ' ' A' ' 86' ' ' GLU . 39.5 mt -67.17 31.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.993 -1.067 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 83' ' ' ARG . 15.2 ttpp 56.82 -0.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.043 . . . . 0.0 110.173 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 84' ' ' LEU . 50.3 mm-40 -78.23 91.84 4.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.895 -1.128 . . . . 0.0 109.027 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -84.49 -36.71 22.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.51 -51.23 37.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.735 -1.228 . . . . 0.0 110.145 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.93 -47.86 78.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 110.216 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.41 -36.1 61.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.961 -1.087 . . . . 0.0 109.865 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.12 -17.28 59.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.087 -1.008 . . . . 0.0 109.734 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -65.63 -39.83 91.89 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.24 -33.42 56.09 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.832 -0.543 . . . . 0.0 109.569 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -39.55 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.037 -1.039 . . . . 0.0 109.011 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.51 -46.83 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 109.218 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.61 -27.96 73.48 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' OG1' ' A' ' 100' ' ' THR . 40.0 tp -61.76 -36.12 80.11 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.209 -1.171 . . . . 0.0 108.988 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.8 mt -75.82 -35.78 59.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.848 -1.158 . . . . 0.0 109.37 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -52.94 -27.89 20.99 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 20.1 p -92.14 -44.97 8.51 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.627 0.727 . . . . 0.0 109.086 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.98 76.85 76.32 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.914 -0.491 . . . . 0.0 110.141 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.8 -21.26 58.25 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.334 1.356 . . . . 0.0 109.679 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.4 -1.31 55.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.666 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -71.89 99.93 2.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.517 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -67.42 -37.39 82.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.604 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' A' ' 75' ' ' PHE . 6.1 tt0 -56.29 -45.89 80.01 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.15 -0.969 . . . . 0.0 109.372 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.54 84.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.472 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.35 -35.28 75.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.14 -51.67 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.19 -37.52 64.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.449 -0.782 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.222 -0.924 . . . . 0.0 108.772 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -72.55 -48.57 39.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.328 -0.857 . . . . 0.0 109.455 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 108.812 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.2 -38.86 81.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.627 -0.67 . . . . 0.0 109.724 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -75.28 -44.54 45.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 109.634 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -56.4 -52.13 65.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.925 . . . . 0.0 109.416 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.24 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 29.9 ttm -48.4 -42.94 33.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.68 -0.638 . . . . 0.0 110.361 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.621 -1.299 . . . . 0.0 109.67 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.8 m -89.43 128.01 35.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 108.81 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.53 -23.06 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 108.895 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 48.7 mt-10 -66.49 -45.98 77.82 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.403 -0.811 . . . . 0.0 109.261 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -67.8 -50.69 55.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.121 -0.987 . . . . 0.0 110.492 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mm? -54.35 -48.97 70.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.933 -1.104 . . . . 0.0 109.439 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LYS . 58.6 mt -77.73 -42.39 34.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.951 -1.093 . . . . 0.0 110.513 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.0 tmmm? -51.63 -47.48 63.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.619 -1.301 . . . . 0.0 108.642 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 26.8 m-85 -67.32 -29.06 68.53 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -75.16 -34.61 61.61 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . 44.6 tttt -54.4 -45.99 73.04 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -62.59 -46.75 86.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.58 -38.89 60.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.363 -0.835 . . . . 0.0 109.329 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.41 -51.66 19.41 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.291 -0.881 . . . . 0.0 110.346 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -65.06 -35.63 81.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.782 -1.198 . . . . 0.0 109.647 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' SER . 45.0 mm-40 -59.04 -49.86 76.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.812 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -63.34 -33.6 75.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.062 . . . . 0.0 108.914 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.72 82.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.47 -16.77 26.13 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.8 15.46 52.39 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLU . 75.0 m -151.94 157.19 41.44 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.391 -1.064 . . . . 0.0 109.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.41 121.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.433 -0.792 . . . . 0.0 109.603 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.5 p -80.87 142.35 33.7 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.534 -0.729 . . . . 0.0 109.409 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -55.59 -30.47 60.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.345 -0.847 . . . . 0.0 109.135 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -54.24 -48.53 71.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -65.08 -49.93 68.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.085 -1.009 . . . . 0.0 110.202 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -55.47 -46.57 76.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.156 -0.965 . . . . 0.0 109.64 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.82 -49.45 76.24 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.449 -0.782 . . . . 0.0 110.556 -179.424 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.563 ' O ' ' NE1' ' A' ' 40' ' ' TRP . 18.6 mm-40 -68.26 -23.39 64.77 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.988 0.899 . . . . 0.0 110.785 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CE2' HD11 ' A' ' 42' ' ' LEU . 52.3 t80 -84.14 -28.11 27.67 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.563 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.15 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.919 -1.113 . . . . 0.0 110.925 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' NE1' ' O ' ' A' ' 37' ' ' GLU . 9.9 p-90 -57.63 -39.41 76.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.553 -1.342 . . . . 0.0 108.227 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 84.5 m -56.42 -39.28 72.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.857 . . . . 0.0 110.921 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 38' ' ' TYR . 13.7 mt -70.76 -57.67 4.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.762 -1.211 . . . . 0.0 110.268 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.528 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 16.7 m -52.75 -14.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.223 -0.923 . . . . 0.0 108.561 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 42.4 ttt180 -81.17 10.86 4.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 28.9 t -104.26 -146.96 0.38 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.158 -0.964 . . . . 0.0 109.098 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -146.3 10.9 1.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.071 -1.018 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 80.4 m-85 -99.71 120.59 39.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.221 -0.924 . . . . 0.0 108.976 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -49.09 -49.29 42.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 0.0 110.806 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.05 -41.6 62.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.77 -1.206 . . . . 0.0 111.007 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -71.74 -50.1 33.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.875 -1.14 . . . . 0.0 109.521 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' A' ' 50' ' ' ASP . 24.0 mt -60.31 -46.34 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.518 -0.739 . . . . 0.0 109.157 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -52.38 -55.05 24.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.981 . . . . 0.0 108.458 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -54.94 -36.49 65.34 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.63 -40.27 87.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.4 mm -58.33 -53.67 43.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.05 -1.265 . . . . 0.0 108.712 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -54.16 -49.86 59.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.569 0.7 . . . . 0.0 109.223 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.57 -50.43 42.41 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.499 -0.751 . . . . 0.0 110.01 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.81 -41.04 65.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.694 -1.254 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.75 -40.24 94.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.941 -1.099 . . . . 0.0 110.114 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -62.0 -35.41 78.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.84 -28.35 55.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.191 -0.943 . . . . 0.0 111.699 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -52.03 -53.97 45.99 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.833 -1.167 . . . . 0.0 111.555 -177.551 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -53.45 -19.55 13.61 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 N-CA-C 110.039 -0.793 . . . . 0.0 110.039 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -116.66 7.34 13.53 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.401 -0.812 . . . . 0.0 110.612 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.99 150.32 20.93 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -70.15 -168.93 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.995 -1.297 . . . . 0.0 108.486 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -75.73 -46.92 28.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.592 -1.318 . . . . 0.0 109.076 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -58.68 -49.4 77.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.452 -0.78 . . . . 0.0 109.523 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.84 -29.84 68.55 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.165 -0.959 . . . . 0.0 108.686 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -56.01 -52.28 64.78 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -53.54 -33.1 53.39 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.394 -0.816 . . . . 0.0 108.801 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -77.67 -49.78 13.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.929 . . . . 0.0 109.1 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 34.9 m-85 -52.01 -49.5 63.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.952 . . . . 0.0 108.606 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.01 -32.13 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.43 -50.22 47.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 0.0 110.592 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -66.79 -34.45 77.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.656 -1.278 . . . . 0.0 109.008 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.13 -46.6 88.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.918 . . . . 0.0 109.994 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.3 67.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.072 . . . . 0.0 109.181 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.66 -45.88 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.921 . . . . 0.0 109.54 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.27 98.09 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -72.2 -29.73 64.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -1.234 . . . . 0.0 109.492 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.8 t80 -66.23 -30.21 70.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.947 . . . . 0.0 108.93 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 43' ' ' VAL . 27.2 ttm180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.0 109.589 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 86' ' ' GLU . 92.3 mt -70.09 26.66 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 110.036 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 83' ' ' ARG . 64.6 mttt 57.98 1.39 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.0 109.852 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -76.51 92.62 3.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.062 -1.023 . . . . 0.0 108.89 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.92 -36.72 21.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 110.209 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.67 -51.25 60.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.839 -1.163 . . . . 0.0 109.985 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -68.71 -46.86 67.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.099 -1.001 . . . . 0.0 110.204 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.37 67.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.949 -1.095 . . . . 0.0 109.82 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.6 mt -72.8 -17.8 61.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.118 -0.988 . . . . 0.0 109.717 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -65.07 -40.08 94.17 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -77.34 -33.88 55.36 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -38.21 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.239 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.01 -46.04 89.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.35 -1.469 . . . . 0.0 108.785 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.15 -28.19 73.44 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 33.9 tp -60.96 -36.27 78.94 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.197 -1.178 . . . . 0.0 109.088 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.98 -35.44 59.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.745 -1.222 . . . . 0.0 109.384 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -54.48 -24.97 22.61 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 34.0 p -94.93 -48.3 6.06 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -129.01 77.58 77.7 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.802 -0.561 . . . . 0.0 110.126 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.36 -22.83 52.15 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 121.269 1.313 . . . . 0.0 109.57 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.4 -3.36 49.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 106' ' ' GLN . 59.0 t-20 -72.03 99.23 2.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.375 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.583 ' ND2' ' OE1' ' A' ' 106' ' ' GLN . 14.8 p-10 -68.33 -35.74 78.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.679 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 2.7 mp0 -56.28 -43.06 78.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.186 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.02 84.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.476 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -56.34 -44.27 79.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.282 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.48 -51.07 67.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -51.07 -38.85 54.09 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.96 -32.35 73.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.053 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.18 -46.65 55.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 109.556 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.66 -46.32 81.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 108.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.09 -38.36 81.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.9 -40.47 68.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.482 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -56.6 -52.71 63.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.636 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.74 79.28 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.2 ttm -47.75 -46.93 30.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.729 -0.607 . . . . 0.0 110.354 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.408 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.7 mptm? . . . . . 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.08 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m -70.5 133.53 46.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.259 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.39 -26.86 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.316 -0.865 . . . . 0.0 108.933 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -68.62 -46.3 69.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.168 -0.958 . . . . 0.0 109.005 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.3 -48.07 79.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.291 -0.881 . . . . 0.0 110.262 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 109.711 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.44 -38.62 55.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.751 -1.218 . . . . 0.0 109.182 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -50.86 -52.23 43.68 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 27.0 m-85 -64.03 -27.99 69.49 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.83 -34.57 64.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.29 -0.881 . . . . 0.0 108.674 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -54.25 -47.85 71.79 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' OE2' ' A' ' 24' ' ' GLU . 12.8 mtmt -63.7 -48.18 78.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 108.653 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -52.67 -40.37 62.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.206 -0.933 . . . . 0.0 109.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -70.78 -52.3 21.52 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.387 -0.821 . . . . 0.0 110.002 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 t -58.76 -42.1 88.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.41 -43.8 79.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 108.763 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -62.12 -36.02 80.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.095 -1.003 . . . . 0.0 108.619 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.1 -45.62 75.46 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.84 26.74 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.16 55.49 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.46 158.48 42.66 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.517 -0.99 . . . . 0.0 109.536 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -139.35 118.2 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.449 -0.782 . . . . 0.0 109.602 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -71.93 142.8 49.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.572 -0.705 . . . . 0.0 109.414 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -57.33 -17.86 14.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -66.54 -49.2 67.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.86 . . . . 0.0 110.092 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 6.6 m -67.87 -36.28 80.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.106 -0.996 . . . . 0.0 109.981 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.082 -1.011 . . . . 0.0 110.845 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 73' ' ' TYR . 6.8 m-85 -64.03 -51.12 65.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.179 -0.951 . . . . 0.0 110.684 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 pp20? -62.2 -15.18 44.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 42' ' ' LEU . 41.3 t80 -85.07 -29.07 25.2 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.156 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -75.73 -50.58 14.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.897 -1.127 . . . . 0.0 110.783 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' NE1' ' SG ' ' A' ' 41' ' ' CYS . 2.7 p-90 -57.36 -38.55 74.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.234 -1.541 . . . . 0.0 108.011 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 91.3 m -60.26 -38.07 82.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.135 -0.978 . . . . 0.0 110.421 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.9 mt -77.74 -56.88 4.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.985 -1.072 . . . . 0.0 111.177 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 m -52.34 -16.25 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 109.69 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -92.95 14.47 17.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.378 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 31.1 t -90.85 -151.5 0.25 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.004 -1.06 . . . . 0.0 109.469 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' NZ ' ' CZ ' ' A' ' 47' ' ' TYR . 21.7 pttp -131.8 1.42 3.99 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.539 -0.726 . . . . 0.0 109.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' NZ ' ' A' ' 46' ' ' LYS . 80.7 m-85 -98.34 121.32 40.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.302 -0.874 . . . . 0.0 108.992 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.74 -49.62 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 110.233 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.99 -33.67 39.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.96 -1.087 . . . . 0.0 110.454 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.95 -29.49 68.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.977 -1.077 . . . . 0.0 109.467 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.36 -45.59 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.111 -0.993 . . . . 0.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mtt-85 -54.15 -26.22 26.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -86.43 -45.69 10.92 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 108.874 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.63 95.96 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.139 -1.185 . . . . 0.0 110.139 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.01 -40.1 80.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.035 -1.274 . . . . 0.0 108.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' ARG . 53.2 t -66.42 -45.94 87.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 25.7 mt -49.9 -42.33 47.82 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -74.57 -39.33 62.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.921 -1.112 . . . . 0.0 109.72 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -59.32 -37.56 78.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.09 -1.006 . . . . 0.0 109.991 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -68.99 -35.57 76.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 110.12 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.5 -28.96 56.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 111.167 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -51.78 -55.37 30.72 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.785 -1.197 . . . . 0.0 111.808 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -52.63 -37.9 75.35 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.798 0.998 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -99.2 55.02 0.98 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 157.14 27.16 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 m -70.67 -177.94 1.69 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.14 -1.212 . . . . 0.0 109.232 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -75.46 -41.93 54.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.946 -1.096 . . . . 0.0 109.504 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.535 ' CD ' HH12 ' A' ' 71' ' ' ARG . 4.4 tm-20 -67.65 -49.76 61.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 108.857 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.2 -31.08 65.11 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.347 -0.846 . . . . 0.0 109.283 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.33 -46.57 82.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.157 -0.964 . . . . 0.0 108.949 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.535 HH12 ' CD ' ' A' ' 68' ' ' GLU . 2.2 mtm-85 -52.33 -30.3 27.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.048 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.48 -51.64 22.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 109.3 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 36' ' ' PHE . 3.0 m-85 -59.49 -29.41 67.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 0.0 109.215 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.77 -41.96 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 108.651 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.3 -49.8 76.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.672 -0.642 . . . . 0.0 110.613 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -62.83 -39.71 95.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.765 -1.21 . . . . 0.0 110.49 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.29 -44.77 95.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.001 -1.062 . . . . 0.0 109.584 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.43 62.27 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.056 -1.027 . . . . 0.0 108.865 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.64 -42.07 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.65 98.53 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -68.34 -29.44 68.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.247 . . . . 0.0 109.438 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.19 -29.65 69.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -72.66 -47.71 45.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 86' ' ' GLU . 47.7 mt -71.8 31.6 0.05 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.979 -1.076 . . . . 0.0 110.064 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 87' ' ' TYR . 58.8 mttt 61.77 -16.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.307 -0.87 . . . . 0.0 110.633 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -57.74 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.741 -1.225 . . . . 0.0 108.498 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' LYS . 49.5 m-85 -82.46 -37.56 25.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 110.205 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.63 -51.51 34.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.865 -1.147 . . . . 0.0 110.467 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.79 -37.68 82.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.093 -1.004 . . . . 0.0 110.231 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.67 94.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.843 -1.161 . . . . 0.0 109.873 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ARG . 65.2 mt -70.01 -18.62 63.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.09 -40.02 90.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -31.91 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 109.776 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LEU . 17.8 mmm-85 -68.75 -48.61 63.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.613 -1.304 . . . . 0.0 109.731 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.72 -29.63 75.02 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.206 -1.557 . . . . 0.0 109.206 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 25.7 tp -59.6 -39.69 85.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.504 -0.998 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ALA . 72.5 mt -75.85 -28.09 58.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.829 -1.17 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.59 -28.58 63.75 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 72.4 p -86.87 -50.88 6.41 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.713 -0.617 . . . . 0.0 109.587 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -130.8 77.35 75.66 Favored Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.701 -0.625 . . . . 0.0 110.212 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.48 -8.61 21.35 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.405 1.403 . . . . 0.0 109.793 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -89.09 -6.84 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 7.1 t-20 -72.89 105.13 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.167 -0.958 . . . . 0.0 109.563 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.7 -36.51 78.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -0.891 . . . . 0.0 109.661 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -56.88 -49.22 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.457 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.451 ' HB2' ' OD1' ' A' ' 104' ' ' ASN . . . -56.94 -39.92 75.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.58 -40.19 95.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 0.0 109.171 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.62 -51.84 67.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.363 -0.836 . . . . 0.0 109.422 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.67 -37.84 59.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.53 -0.731 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.04 -38.89 92.33 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.039 -1.038 . . . . 0.0 109.102 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -54.81 -51.67 65.07 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.334 -0.853 . . . . 0.0 109.618 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.2 -44.01 87.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.0 -34.57 64.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.51 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.02 -49.49 19.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -55.81 -51.46 67.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.83 78.21 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.6 ttm -49.0 -48.38 43.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.529 -0.732 . . . . 0.0 110.345 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.542 -1.349 . . . . 0.0 109.502 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.22 0.533 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 m -64.54 135.26 55.82 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.939 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.68 -25.81 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.193 -0.942 . . . . 0.0 109.17 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 42.7 mt-10 -68.6 -45.97 70.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.12 -0.988 . . . . 0.0 109.49 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.73 -43.04 99.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.222 -0.924 . . . . 0.0 110.742 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -70.85 -44.31 66.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.87 -1.144 . . . . 0.0 109.913 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -78.38 -30.35 47.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.717 -1.24 . . . . 0.0 110.156 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.5 ttpt -55.13 -55.16 34.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.884 -1.135 . . . . 0.0 109.236 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.9 -24.53 63.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 108.808 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -72.22 -33.83 67.88 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -47.25 76.62 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -61.04 -47.84 84.52 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.095 -1.003 . . . . 0.0 109.069 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.76 -32.49 52.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.253 -0.904 . . . . 0.0 109.564 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -72.67 -52.09 16.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.28 -0.888 . . . . 0.0 109.625 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 p -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.808 -1.182 . . . . 0.0 109.791 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 29' ' ' SER . 42.2 mt-10 -58.82 -43.55 90.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 0.0 109.124 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -69.7 -40.01 76.56 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.187 -0.946 . . . . 0.0 108.906 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.82 68.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -14.41 26.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.72 16.93 53.87 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.0 m -156.07 123.71 5.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.426 -1.044 . . . . 0.0 109.489 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -107.26 122.39 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.747 . . . . 0.0 109.543 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.5 p -70.57 137.75 50.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -58.82 -18.61 33.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.371 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -64.63 -48.62 74.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.627 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' TYR . 21.7 m -71.64 -39.62 70.24 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.135 -0.978 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.94 -39.04 65.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 109.369 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.2 m-85 -74.08 -50.1 21.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.234 -0.916 . . . . 0.0 109.888 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.17 -16.72 62.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 109.009 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 10.6 t80 -78.86 -31.66 45.68 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -74.11 -38.88 63.71 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.213 -0.929 . . . . 0.0 108.86 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.477 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.19 -54.13 40.4 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.531 ' SG ' HD23 ' A' ' 14' ' ' LEU . 11.3 p -53.73 -39.09 64.99 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.725 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.2 mt -78.17 -36.81 47.07 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 110.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.2 t -49.7 -22.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 45' ' ' SER . 44.2 mtp180 -94.41 -105.63 0.14 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 47' ' ' TYR . 8.7 t 57.94 124.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.532 -0.73 . . . . 0.0 110.285 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -64.08 3.97 0.37 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 45' ' ' SER . 77.9 m-85 -110.57 138.09 47.42 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.549 -0.72 . . . . 0.0 109.457 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -71.91 -48.29 46.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.925 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -52.45 -33.75 45.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.864 -1.148 . . . . 0.0 110.557 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.25 -29.17 69.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 109.082 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.9 mt -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.117 -0.989 . . . . 0.0 108.788 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -50.69 -52.95 35.31 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -51.72 -44.31 63.18 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.78 -42.92 59.95 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.81 -54.45 34.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 120.903 -1.351 . . . . 0.0 108.83 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.53 -51.89 64.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.542 0.687 . . . . 0.0 109.199 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 43.7 mt -48.67 -48.11 40.21 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.544 -0.722 . . . . 0.0 109.672 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.21 -45.04 35.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.858 -1.151 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -55.97 -31.66 63.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.814 -1.179 . . . . 0.0 110.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -73.51 -37.33 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -0.996 . . . . 0.0 110.006 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.25 -29.46 57.5 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.084 -1.01 . . . . 0.0 111.16 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.8 mp -50.5 -55.75 23.78 Favored Pre-proline 0 N--CA 1.486 1.342 0 O-C-N 120.629 -1.294 . . . . 0.0 110.856 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.3 Cg_exo -53.51 -25.55 32.87 Favored 'Trans proline' 0 C--N 1.321 -0.881 0 N-CA-C 109.964 -0.821 . . . . 0.0 109.964 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -99.11 33.05 2.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.274 -0.891 . . . . 0.0 109.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 156.85 23.28 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -79.85 -168.13 1.5 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -1.133 . . . . 0.0 109.294 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -73.84 -39.02 64.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.076 -1.015 . . . . 0.0 109.737 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -72.77 -41.57 64.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 108.793 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.88 -35.42 76.57 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.637 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.46 -40.63 85.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.1 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 12.2 ttp180 -51.87 -34.77 42.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.927 . . . . 0.0 108.712 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -76.85 -51.33 11.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.003 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.517 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.7 m-85 -62.76 -40.16 96.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 0.0 109.851 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.08 -36.79 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.015 -1.053 . . . . 0.0 108.628 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -59.42 -45.0 92.77 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.647 -0.658 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -70.0 -37.27 75.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.956 -1.09 . . . . 0.0 110.289 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.05 -44.94 94.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.049 . . . . 0.0 109.145 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.74 -34.95 71.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.152 -0.968 . . . . 0.0 108.995 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.54 -38.69 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.43 -44.79 63.09 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -66.05 -28.97 69.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 0.0 109.066 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -68.64 -30.35 69.03 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.873 . . . . 0.0 109.121 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 85' ' ' LYS . 8.7 tpm_? -68.68 -43.21 76.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.63 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 86' ' ' GLU . 54.9 mt -71.79 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.243 -0.911 . . . . 0.0 110.025 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.9 mttm 59.46 -1.97 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.899 . . . . 0.0 110.312 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -72.84 93.82 1.74 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.896 -1.127 . . . . 0.0 108.913 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -84.97 -36.9 21.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.508 -0.745 . . . . 0.0 109.961 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 20.6 mp0 -67.15 -39.76 86.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 110.588 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -76.68 -46.24 26.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.11 67.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 114' ' ' ILE . 6.4 mp -54.8 -52.09 63.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 108.59 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -44.18 -34.31 1.81 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.67 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -76.33 -48.93 18.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.999 -1.063 . . . . 0.0 108.784 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -28.36 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.458 -0.776 . . . . 0.0 110.071 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.02 -47.47 71.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.691 -1.256 . . . . 0.0 109.603 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.63 -28.6 72.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' ' OG1' ' A' ' 100' ' ' THR . 30.0 tp -59.68 -37.21 78.17 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.498 -1.001 . . . . 0.0 108.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 88.7 mt -76.77 -33.3 58.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.782 -1.199 . . . . 0.0 109.557 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -53.43 -26.16 18.83 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 80.2 p -86.52 -50.96 6.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 56.7 mt-10 -132.47 79.34 65.47 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.721 -0.612 . . . . 0.0 109.831 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.4 -16.61 48.39 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.16 1.24 . . . . 0.0 109.682 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -81.86 1.6 34.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -79.82 103.01 9.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.072 -1.018 . . . . 0.0 109.698 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.23 -35.29 68.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.886 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.21 -35.79 67.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.15 -0.969 . . . . 0.0 109.314 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -75.77 -28.07 58.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.121 -0.987 . . . . 0.0 109.105 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -71.48 -50.14 34.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 109.837 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -32.33 67.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.014 -1.054 . . . . 0.0 109.312 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.14 -43.29 99.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 108.894 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -54.27 -38.51 65.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -62.01 -50.99 69.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 110.404 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.56 -49.17 73.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.011 -1.056 . . . . 0.0 109.228 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 91' ' ' LEU . 51.9 mt -67.33 -40.9 85.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.415 -0.803 . . . . 0.0 109.255 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.08 -46.2 68.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.853 . . . . 0.0 109.517 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -56.35 -51.8 66.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.22 -0.925 . . . . 0.0 109.472 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.01 77.8 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.12 -1.032 . . . . 0.0 108.233 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.8 ttm -46.48 -40.39 12.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.466 -0.771 . . . . 0.0 110.312 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.672 -1.267 . . . . 0.0 110.336 -179.627 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.261 0.553 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -76.19 130.26 37.97 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.51 -24.62 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.179 -0.951 . . . . 0.0 108.892 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.558 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 mp0 -66.78 -45.84 77.2 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.285 -0.885 . . . . 0.0 109.008 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.93 -35.86 80.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.284 -0.885 . . . . 0.0 110.117 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.03 -49.46 57.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LYS . 60.9 mt -78.33 -31.81 48.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 110.518 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.8 ttpt -54.12 -53.23 56.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.017 -1.052 . . . . 0.0 110.065 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -74.87 -26.95 60.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.986 -1.071 . . . . 0.0 109.638 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.71 -32.42 62.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.8 -48.02 76.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -61.22 -47.81 84.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.242 -0.911 . . . . 0.0 109.033 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -52.95 -35.05 58.27 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.193 -0.942 . . . . 0.0 109.447 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.35 -52.47 13.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.267 -0.895 . . . . 0.0 109.766 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -61.17 -49.39 77.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.853 -1.155 . . . . 0.0 109.591 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 59.4 mt-10 -58.21 -51.2 70.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.209 -0.932 . . . . 0.0 109.088 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -59.0 -40.32 84.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.069 -1.019 . . . . 0.0 108.994 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.68 66.99 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.62 47.97 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.87 9.89 51.05 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.0 t -152.56 158.32 42.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.6 t -140.57 128.36 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.281 -0.887 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.1 p -70.52 139.48 51.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.435 -0.791 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -57.74 -18.2 19.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.407 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -66.55 -48.43 69.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -64.59 -41.78 96.02 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.192 -0.942 . . . . 0.0 109.722 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -56.95 -42.17 79.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.092 -1.005 . . . . 0.0 109.233 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.2 m-85 -71.66 -50.06 34.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.239 -0.913 . . . . 0.0 109.796 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 38.7 mt-10 -71.82 -15.39 62.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.079 -1.013 . . . . 0.0 109.927 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 20.1 t80 -77.75 -35.34 51.88 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.839 -1.163 . . . . 0.0 108.794 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.45 -37.92 65.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.387 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.642 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.44 -53.15 59.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.975 -1.078 . . . . 0.0 108.441 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 4.1 m -53.83 -39.45 65.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 mt -77.75 -45.28 25.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 110.127 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 39' ' ' ALA . 99.6 t -54.17 -24.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.074 -1.016 . . . . 0.0 109.905 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.642 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 30.2 ttm180 -97.23 22.44 8.63 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.535 -0.728 . . . . 0.0 109.319 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 p -94.33 151.54 19.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.958 -1.088 . . . . 0.0 109.352 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -78.81 -4.31 48.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -92.93 138.17 31.72 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -0.912 . . . . 0.0 109.054 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -71.05 -48.98 49.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.782 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -52.3 -36.67 53.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.889 -1.132 . . . . 0.0 110.724 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.19 -32.1 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.972 -1.08 . . . . 0.0 109.366 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -78.48 -39.61 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.927 -1.108 . . . . 0.0 108.781 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -52.13 -54.24 32.98 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.36 -40.34 74.37 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.74 -40.59 64.26 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.63 -56.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 O-C-N 120.762 -1.434 . . . . 0.0 108.962 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 25.3 t -51.63 -51.4 26.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.5 mt -47.96 -49.85 29.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -44.17 43.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.896 -1.128 . . . . 0.0 109.996 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -51.99 -39.95 60.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.996 -1.065 . . . . 0.0 110.224 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 56' ' ' VAL . 1.4 mp0 -72.95 -31.55 64.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.91 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 36' ' ' PHE . 42.0 mt -75.35 -30.54 60.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.95 -1.094 . . . . 0.0 111.041 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -52.38 -55.7 29.32 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 120.73 -1.231 . . . . 0.0 111.25 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.2 Cg_endo -55.43 -28.32 63.15 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 CA-C-N 119.466 0.845 . . . . 0.0 110.262 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -96.42 35.15 1.51 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.167 -0.958 . . . . 0.0 109.845 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.38 -135.37 3.74 Favored Glycine 0 N--CA 1.5 2.931 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 p -147.36 -169.51 3.33 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.329 -1.1 . . . . 0.0 108.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -75.46 -44.43 44.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -73.88 -47.34 38.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.75 -30.92 64.06 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 108.724 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -52.8 -31.72 40.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.65 -52.82 8.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 109.663 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.2 m-85 -60.24 -38.29 82.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.068 -1.02 . . . . 0.0 108.957 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.83 -37.35 59.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.67 -49.0 79.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.726 -0.609 . . . . 0.0 110.564 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -68.28 -37.03 80.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.722 -1.236 . . . . 0.0 110.158 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.4 -45.07 92.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.99 -1.069 . . . . 0.0 109.436 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.32 72.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.144 -0.973 . . . . 0.0 109.343 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.45 -41.3 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 109.773 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.59 -43.58 91.83 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -67.43 -26.54 66.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 0.0 109.56 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -68.94 -32.76 72.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.357 -0.839 . . . . 0.0 109.392 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 34.8 mtt180 -75.3 -45.96 36.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.064 -1.022 . . . . 0.0 109.51 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 86' ' ' GLU . 36.9 mt -65.94 28.59 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 110.522 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 44.3 mttm 55.07 4.41 0.08 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.894 -1.129 . . . . 0.0 109.767 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 84' ' ' LEU . 92.5 mt-10 -82.01 83.72 7.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -0.961 . . . . 0.0 108.989 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -78.95 -37.2 40.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.332 -0.855 . . . . 0.0 109.742 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.65 -50.87 72.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.948 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.15 -42.84 75.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 109.563 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.37 86.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.583 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -70.55 -19.41 62.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.007 . . . . 0.0 109.078 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' HH21 ' A' ' 95' ' ' ARG . 59.7 tttp -75.65 -37.46 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.981 -1.074 . . . . 0.0 108.441 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -75.89 -37.74 58.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.656 -0.653 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -32.6 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.146 -0.972 . . . . 0.0 110.959 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 91' ' ' LEU . 52.5 mtm180 -71.64 -48.77 45.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.618 -1.301 . . . . 0.0 110.16 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.27 73.59 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 100' ' ' THR . 9.5 tp -58.0 -45.74 86.35 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.609 -0.936 . . . . 0.0 108.53 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.34 -35.33 77.62 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.919 -1.113 . . . . 0.0 109.996 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -49.56 -32.95 13.65 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 75.6 p -76.47 -48.35 19.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.468 -0.77 . . . . 0.0 109.001 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -131.73 76.01 75.21 Favored Pre-proline 0 N--CA 1.497 1.876 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.6 -19.65 38.19 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.302 1.334 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -79.74 5.8 12.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 0.0 109.663 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -80.23 106.42 12.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.122 -0.986 . . . . 0.0 109.493 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' OE2' ' A' ' 109' ' ' GLU . 12.7 p-10 -74.76 -36.84 62.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.0 109.854 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.15 -43.41 78.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 109.818 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.89 76.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.167 -0.958 . . . . 0.0 109.578 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.25 -38.73 92.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.782 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -62.33 -55.1 31.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.137 -0.977 . . . . 0.0 109.427 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.2 -42.7 51.89 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.556 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.019 -1.05 . . . . 0.0 108.959 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.88 -46.06 59.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.374 -0.829 . . . . 0.0 109.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.1 mt -57.22 -46.9 82.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.179 -0.951 . . . . 0.0 109.151 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.583 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.5 mt -63.26 -51.18 74.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.576 -0.702 . . . . 0.0 109.7 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.49 -37.61 65.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.841 . . . . 0.0 109.905 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.73 -52.71 64.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.044 -1.035 . . . . 0.0 109.915 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.9 75.19 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.0 mtp -49.27 -47.33 46.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.552 -0.717 . . . . 0.0 110.31 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? . . . . . 0 N--CA 1.489 1.511 0 O-C-N 120.678 -1.264 . . . . 0.0 109.281 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.64 75.92 0.42 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 109.47 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.71 120.78 16.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.443 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.5 t -75.03 111.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 0.0 109.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.47 160.93 30.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.415 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -79.72 67.68 5.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -0.91 . . . . 0.0 109.539 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -161.22 143.04 11.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.24 -87.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -147.62 119.06 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.252 -0.905 . . . . 0.0 109.723 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -63.1 137.98 58.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.287 -0.883 . . . . 0.0 108.924 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.07 -27.14 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 109.168 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.06 -46.91 69.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 108.967 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.65 -37.84 88.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.361 -0.837 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -49.3 56.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.1 -1.0 . . . . 0.0 109.524 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.2 -29.89 61.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.919 -1.113 . . . . 0.0 109.423 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -50.83 -53.69 30.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 108.881 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.36 -25.15 64.04 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.153 -0.967 . . . . 0.0 108.744 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.25 -35.82 74.05 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.52 -48.56 71.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -58.76 -48.82 79.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.371 -0.831 . . . . 0.0 108.957 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.78 -34.06 57.88 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -53.17 11.67 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.843 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -58.74 -50.07 75.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.757 -1.214 . . . . 0.0 109.883 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 29' ' ' SER . 69.0 mt-10 -58.25 -51.93 67.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.085 -1.009 . . . . 0.0 108.95 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -58.19 -39.16 78.21 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.0 109.163 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.94 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.26 -14.75 28.56 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.98 10.71 45.23 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -154.55 158.6 40.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.444 -1.033 . . . . 0.0 109.185 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.18 126.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.332 -0.855 . . . . 0.0 109.371 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -70.51 139.75 51.68 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.433 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -56.74 -30.22 63.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.194 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -54.38 -49.43 69.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.3 m -66.49 -39.89 88.96 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -58.38 -38.86 78.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 109.253 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 24.6 m-85 -71.63 -50.37 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.365 -0.835 . . . . 0.0 110.177 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -72.03 -15.01 62.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.134 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.6 t80 -78.82 -34.73 45.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.752 -1.218 . . . . 0.0 109.075 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.02 -38.3 66.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.145 -0.972 . . . . 0.0 109.175 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.656 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.19 -52.44 63.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.092 . . . . 0.0 108.24 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 m -53.51 -39.86 64.95 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.554 -0.716 . . . . 0.0 109.688 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 13.3 mt -77.44 -43.65 31.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.054 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' ALA . 89.0 t -53.84 -20.12 3.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 O-C-N 120.964 -1.085 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 36.8 mtm180 -112.0 29.17 8.1 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 p -83.42 159.33 21.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 0.0 109.651 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -79.96 -6.69 57.99 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.377 -0.827 . . . . 0.0 109.102 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -106.2 142.2 36.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -71.22 -48.63 50.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.918 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -51.8 -31.32 26.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.923 -1.111 . . . . 0.0 110.525 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.79 -29.84 70.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.096 . . . . 0.0 108.861 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -78.59 -40.62 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.898 . . . . 0.0 108.579 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.0 mtt180 -54.55 -31.4 56.48 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -83.82 -40.88 18.15 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.92 79.0 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.15 -42.03 58.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.266 -1.137 . . . . 0.0 108.99 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.9 t -64.9 -45.0 96.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.55 -50.08 43.56 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.631 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.6 mt -71.31 -41.41 69.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.65 -41.7 55.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.019 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.42 -28.71 62.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 mt -76.3 -31.13 58.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.171 -0.955 . . . . 0.0 110.829 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 5.6 mp -52.43 -55.77 28.82 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.709 -1.245 . . . . 0.0 111.063 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -58.06 -25.55 71.29 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -85.36 -13.32 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.386 -0.821 . . . . 0.0 110.188 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.56 157.05 19.4 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.473 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 14.1 m -70.63 -165.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -1.092 . . . . 0.0 109.177 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -74.41 -37.94 63.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.028 -1.045 . . . . 0.0 109.736 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -71.85 -48.96 42.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.09 -30.53 62.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 109.035 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 66' ' ' SER . 41.1 mt-30 -72.34 -40.27 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.184 -0.948 . . . . 0.0 109.115 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 53.7 mtm180 -51.67 -34.2 37.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.39 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.44 -51.87 10.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.085 -1.009 . . . . 0.0 109.536 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.2 m-85 -63.1 -35.6 80.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 109.392 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 70' ' ' GLN . 26.2 t -58.59 -40.19 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 108.468 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.43 -43.21 93.15 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.792 -0.568 . . . . 0.0 110.587 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.804 -1.185 . . . . 0.0 110.417 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.54 -44.71 95.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 109.871 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.57 -33.27 73.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.2 t -75.75 -37.26 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.98 . . . . 0.0 110.063 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.24 -42.72 65.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -76.38 -29.6 57.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.159 -1.201 . . . . 0.0 109.547 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.83 -44.0 86.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.53 ' C ' ' H ' ' A' ' 85' ' ' LYS . 15.9 ptm180 -75.16 -36.38 61.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 110.445 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' GLU . 95.0 mt -67.52 32.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.721 -1.237 . . . . 0.0 110.46 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 83' ' ' ARG . 74.3 tttt 64.91 -37.56 0.22 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.224 -0.923 . . . . 0.0 110.338 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.5 95.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.738 -1.226 . . . . 0.0 108.687 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' LYS . 65.0 m-85 -84.15 -41.84 16.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 0.0 110.557 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -43.78 75.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.925 . . . . 0.0 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -54.11 -49.41 69.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.947 -1.096 . . . . 0.0 109.133 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.66 67.74 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 91' ' ' LEU . 14.3 tp -70.19 -23.9 63.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.499 -0.751 . . . . 0.0 109.637 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -77.61 -35.69 52.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -74.79 -39.87 61.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.652 -0.655 . . . . 0.0 109.644 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.28 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 110.278 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -72.46 -48.11 43.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.611 -1.306 . . . . 0.0 109.615 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.7 78.63 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.0 tp -58.73 -37.32 75.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.621 -0.929 . . . . 0.0 108.776 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 107' ' ' ALA . 78.9 mt -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.738 -1.226 . . . . 0.0 109.402 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -53.32 -24.3 11.52 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 35.6 p -95.33 -48.3 5.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 45.3 mt-10 -129.49 77.94 76.43 Favored Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.87 -0.519 . . . . 0.0 110.166 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.08 -25.58 65.94 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.341 1.361 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.7 3.42 5.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -82.47 105.43 13.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.139 -0.976 . . . . 0.0 109.513 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -73.39 -42.59 61.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.94 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -56.46 -29.36 61.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.22 -27.72 42.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 109.019 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -74.96 -50.28 17.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.845 . . . . 0.0 109.72 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.46 -37.99 73.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 109.296 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.75 -40.79 98.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.052 -1.03 . . . . 0.0 108.702 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.01 -34.47 70.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.087 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' LYS . 94.2 mtt180 -63.31 -49.25 74.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.492 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.01 -51.71 68.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.227 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -57.02 -53.01 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.342 -0.849 . . . . 0.0 110.004 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.45 -37.56 74.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.215 -0.928 . . . . 0.0 109.918 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 112' ' ' ARG . 50.1 tttm -68.77 -39.79 80.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.181 -0.949 . . . . 0.0 110.087 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.14 70.78 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.947 -1.095 . . . . 0.0 108.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 31.5 mtm -51.19 -40.8 59.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.223 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.66 -26.45 61.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.587 -1.321 . . . . 0.0 109.195 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 122' ' ' GLY . 65.3 tttm -66.86 -61.04 2.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.86 . . . . 0.0 109.427 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.26 3.91 0.81 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.231 -0.918 . . . . 0.0 109.358 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -113.2 -1.62 25.02 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.3 mt 53.61 108.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.691 -0.887 . . . . 0.0 109.821 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -69.25 -161.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.028 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.464 ' H ' HG12 ' A' ' 124' ' ' VAL . . . -82.33 39.37 2.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' A' ' 126' ' ' MET . 1.6 mpt? 47.74 -120.73 1.23 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.177 -1.19 . . . . 0.0 109.091 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.85 132.28 42.38 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.096 -1.002 . . . . 0.0 108.671 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 129' ' ' VAL . 90.7 mt -123.2 159.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.522 -0.736 . . . . 0.0 109.426 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 128' ' ' ILE . 41.0 t -147.83 86.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 76.87 -21.95 2.44 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 167.66 -163.91 37.51 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.8 ttm -65.45 -42.84 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.227 -1.161 . . . . 0.0 109.433 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -162.03 -172.59 3.3 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 0.0 109.529 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.7 mt -76.3 -153.3 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.35 -0.844 . . . . 0.0 109.598 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -149.15 163.48 29.16 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 137' ' ' ALA . 9.1 t -69.3 63.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -1.124 . . . . 0.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . 52.25 98.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.494 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -165.48 75.88 0.15 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -71.9 -95.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.32 -1.106 . . . . 0.0 109.186 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.31 -92.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.201 -0.937 . . . . 0.0 109.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 63.91 12.19 47.42 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -92.95 25.59 3.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.241 -1.152 . . . . 0.0 109.227 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 9.0 tp -160.59 -23.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.146 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -74.83 -171.5 27.84 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.859 ' H ' HD23 ' A' ' 145' ' ' LEU . 1.9 pt? -68.54 -158.51 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.249 -1.148 . . . . 0.0 109.762 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -147.08 -167.95 2.91 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.765 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.438 ' N ' ' ND1' ' A' ' 147' ' ' HIS . 2.3 m80 -50.35 129.27 21.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.892 . . . . 0.0 109.496 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -74.2 111.32 9.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -68.06 79.85 0.22 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.257 -0.902 . . . . 0.0 109.429 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -169.29 117.63 0.64 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 1.3 m80 -64.86 -150.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.46 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 96.8 m-70 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' C ' ' H ' ' A' ' 3' ' ' ALA . 16.4 ptt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 11.2 mp0 -74.55 20.38 0.12 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.898 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 1' ' ' MET . . . 53.8 -175.49 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.442 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.1 t 50.24 91.07 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.303 -0.873 . . . . 0.0 109.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.1 mp -70.05 77.16 0.5 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.475 ' CG ' ' H ' ' A' ' 7' ' ' GLU . 65.9 t30 -165.64 -172.95 2.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.618 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' H ' ' CG ' ' A' ' 6' ' ' ASN . 2.7 tp10 62.11 137.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.385 -0.822 . . . . 0.0 109.63 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.53 -55.76 5.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 109.374 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.7 t -147.72 139.17 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.607 -0.683 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 t -79.02 140.6 37.92 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.237 -0.914 . . . . 0.0 108.907 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.14 -23.58 13.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.83 -45.84 66.95 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' HA ' ' HZ3' ' A' ' 16' ' ' LYS . 6.2 m-20 -65.94 -49.31 68.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.4 -0.813 . . . . 0.0 110.418 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.21 90.49 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.966 -1.084 . . . . 0.0 109.954 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.12 -33.92 59.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.79 -1.194 . . . . 0.0 109.486 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.74 -44.44 77.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.863 -1.148 . . . . 0.0 108.257 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.1 m-85 -71.86 -28.97 63.89 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.49 -36.93 71.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -55.9 -43.29 77.13 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.0 -48.76 64.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.245 -0.91 . . . . 0.0 108.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.58 -42.53 71.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.313 -0.867 . . . . 0.0 108.886 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.35 -50.4 32.62 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.486 -0.759 . . . . 0.0 109.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.4 m -61.11 -40.77 95.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.797 -1.189 . . . . 0.0 109.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.54 -46.75 83.51 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.477 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -57.16 -41.24 78.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.004 -1.06 . . . . 0.0 108.78 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.36 72.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -17.62 18.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.69 13.92 57.46 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 108.931 -1.667 . . . . 0.0 108.931 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 m -157.79 154.78 28.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.04 . . . . 0.0 109.638 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.88 128.47 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.458 -0.776 . . . . 0.0 109.581 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.71 146.91 30.83 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -58.86 -25.77 63.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.509 -0.744 . . . . 0.0 109.525 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -49.79 75.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.353 -0.842 . . . . 0.0 110.319 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -65.47 -43.92 88.79 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.989 -1.069 . . . . 0.0 109.677 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.658 ' HB3' HD11 ' A' ' 61' ' ' LEU . 41.5 mt-30 -52.16 -43.31 64.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 49.4 m-85 -71.09 -49.18 47.24 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 109.763 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 61.4 mt-10 -58.71 -30.47 67.46 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.677 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.532 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.7 t80 -88.31 -27.35 21.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.134 -0.978 . . . . 0.0 110.391 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.43 15.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.785 -1.197 . . . . 0.0 109.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 6.9 p-90 -59.53 -37.28 77.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.698 -1.252 . . . . 0.0 108.548 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 55.1 m -55.59 -34.27 64.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.786 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 14.1 mt -79.46 -58.62 3.11 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.046 -1.034 . . . . 0.0 111.919 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 m -54.84 -17.52 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.861 -1.149 . . . . 0.0 110.187 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -94.58 21.18 7.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 109.264 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -101.49 -162.82 0.96 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.211 -0.931 . . . . 0.0 109.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -121.47 0.64 10.01 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -95.22 116.44 28.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.302 -0.873 . . . . 0.0 109.125 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -51.4 -49.03 62.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 110.133 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -51.53 -31.77 25.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.974 -1.079 . . . . 0.0 110.338 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.53 -30.59 63.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.969 -1.082 . . . . 0.0 109.463 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.12 -45.46 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.945 -1.097 . . . . 0.0 108.903 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -54.27 -54.13 44.29 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -68.15 -34.76 76.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.509 -0.744 . . . . 0.0 109.054 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.36 95.57 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.75 -39.76 84.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 120.988 -1.301 . . . . 0.0 108.835 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.55 -45.64 96.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.33 -45.85 46.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.772 -0.58 . . . . 0.0 109.975 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -41.37 60.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.721 -1.237 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -52.0 -41.86 62.53 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 110.211 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -73.03 -30.08 63.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.134 -0.978 . . . . 0.0 109.789 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 35' ' ' GLN . 83.0 mt -75.0 -30.52 61.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 110.939 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -53.02 -56.38 24.27 Favored Pre-proline 0 N--CA 1.486 1.338 0 O-C-N 120.793 -1.192 . . . . 0.0 111.202 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.5 Cg_endo -58.92 -31.27 95.18 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.651 0.901 . . . . 0.0 110.203 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -76.17 -20.67 57.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.109 -0.994 . . . . 0.0 110.193 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.05 156.27 21.3 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.9 p -64.8 -166.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -1.194 . . . . 0.0 109.171 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -74.54 -35.92 63.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.979 -1.075 . . . . 0.0 109.065 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 71' ' ' ARG . 13.6 tp10 -71.33 -47.39 56.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.128 -0.983 . . . . 0.0 108.887 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 52.0 mt-10 -56.12 -28.25 57.11 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.39 -0.819 . . . . 0.0 109.173 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -72.03 -45.75 59.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.277 -0.889 . . . . 0.0 109.456 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.54 ' NH1' ' CG ' ' A' ' 101' ' ' GLU . 33.1 mtm180 -51.26 -33.49 28.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.107 -0.995 . . . . 0.0 109.767 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.54 -51.54 16.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.925 -1.109 . . . . 0.0 109.237 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.8 m-85 -62.6 -29.52 70.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 0.0 109.051 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.65 -42.86 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -58.85 -45.02 91.1 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.85 -0.531 . . . . 0.0 110.217 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -65.83 -39.76 91.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.735 -1.228 . . . . 0.0 109.799 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.28 -45.13 94.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 109.497 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.53 63.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.111 -0.993 . . . . 0.0 109.043 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.2 -42.33 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.38 -0.825 . . . . 0.0 109.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.04 -41.52 95.11 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -68.78 -29.54 67.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.088 -1.242 . . . . 0.0 109.475 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.34 -30.04 70.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 108.917 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 85' ' ' LYS . 21.5 mmt180 -70.64 -45.33 65.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.28 -0.887 . . . . 0.0 109.775 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 86' ' ' GLU . 80.4 mt -70.91 29.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 83' ' ' ARG . 35.3 mttp 55.52 2.59 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 110.094 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 84' ' ' LEU . 55.7 mt-10 -74.16 92.34 2.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.947 -1.096 . . . . 0.0 108.97 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -83.74 -31.62 25.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.914 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -72.54 -48.73 37.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.747 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -66.99 -40.67 87.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.182 -0.949 . . . . 0.0 109.919 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.05 74.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.953 -1.092 . . . . 0.0 109.438 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 114' ' ' ILE . 3.8 mp -76.01 -18.35 59.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.234 -0.916 . . . . 0.0 109.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.17 -36.8 69.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.453 -1.405 . . . . 0.0 107.579 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -77.93 -43.68 29.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.8 -0.562 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.23 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.239 -0.913 . . . . 0.0 110.844 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 20.9 mmm180 -70.05 -45.66 66.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.25 -1.531 . . . . 0.0 109.241 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.88 73.38 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 100' ' ' THR . 20.0 tp -59.67 -39.4 84.35 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.496 -1.002 . . . . 0.0 108.964 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 107' ' ' ALA . 62.3 mt -75.7 -38.47 58.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.117 . . . . 0.0 109.612 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -52.28 -24.2 7.02 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 17.3 p -96.99 -43.51 7.41 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' CG ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -131.4 76.75 75.09 Favored Pre-proline 0 N--CA 1.501 2.096 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -9.85 26.58 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.47 1.447 . . . . 0.0 109.571 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.92 -6.5 58.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -74.87 97.94 3.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.013 -1.054 . . . . 0.0 109.742 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.42 -41.39 84.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.672 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -56.8 -28.09 60.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.94 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -30.24 48.05 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.109 -0.994 . . . . 0.0 109.086 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.12 -51.22 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.873 . . . . 0.0 109.726 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.0 -32.43 67.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.143 -0.973 . . . . 0.0 109.086 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.36 -42.86 99.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 108.697 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.98 -36.22 82.81 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.821 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -55.53 -45.63 77.15 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.438 -0.789 . . . . 0.0 109.637 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -57.49 -42.93 83.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 91' ' ' LEU . 74.2 mt -71.59 -49.78 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.86 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.57 -49.37 70.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 110.072 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -56.91 -48.38 78.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.101 -0.999 . . . . 0.0 110.258 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.12 77.33 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.056 -1.028 . . . . 0.0 108.484 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 23.5 mtp -47.78 -47.47 30.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.641 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.09 -50.37 72.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.53 -1.356 . . . . 0.0 109.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 122' ' ' GLY . 44.8 mtpt -71.51 -53.57 13.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.545 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.88 8.14 0.57 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.323 -0.861 . . . . 0.0 109.675 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -84.83 67.56 3.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 123' ' ' LEU . 3.8 mm? -61.95 159.44 14.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -1.141 . . . . 0.0 109.617 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' MET . 24.3 t -148.24 148.15 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.77 83.7 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 124' ' ' VAL . 14.3 ptp -57.17 -37.91 72.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -1.13 . . . . 0.0 109.388 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.78 132.51 30.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.326 -0.858 . . . . 0.0 109.367 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.1 mt -109.68 152.64 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.573 -0.705 . . . . 0.0 109.101 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.1 t -146.29 -8.8 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.156 -0.965 . . . . 0.0 109.34 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.24 81.58 0.15 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.26 3.36 53.33 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 132' ' ' MET . 0.0 OUTLIER 59.3 74.28 0.45 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -1.128 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 135' ' ' GLY . . . -171.41 27.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.171 0.986 . . . . 0.0 109.305 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -70.9 36.35 0.05 OUTLIER 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 133' ' ' ALA . . . -82.87 6.23 71.51 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.08 -13.04 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -1.144 . . . . 0.0 109.53 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.57 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.459 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.92 67.56 2.01 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 13.9 mt -74.21 -1.64 21.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -1.177 . . . . 0.0 109.35 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 142' ' ' LEU . . . -67.25 166.35 14.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.501 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -97.48 41.72 2.26 Favored Glycine 0 N--CA 1.497 2.759 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.409 HD23 ' HB1' ' A' ' 140' ' ' ALA . 3.7 mm? -83.47 -46.38 12.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.1 -1.235 . . . . 0.0 108.967 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 144' ' ' GLY . 17.0 tt -62.43 -41.28 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 143' ' ' ILE . . . -86.57 173.76 45.98 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.49 -150.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -1.141 . . . . 0.0 109.277 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.94 -37.19 3.64 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.504 -0.747 . . . . 0.0 109.378 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -78.88 179.89 6.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 0.0 109.509 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.59 ' CG ' ' H ' ' A' ' 149' ' ' HIS . 0.8 OUTLIER -164.45 -156.75 0.34 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.36 179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.59 ' H ' ' CG ' ' A' ' 148' ' ' HIS . 0.1 OUTLIER -173.67 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 109.306 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -58.64 -67.36 0.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.393 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.4 m80 51.17 -125.38 2.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.454 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.511 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 mmt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.305 0.574 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.88 -2.76 0.23 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.211 -0.931 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -168.67 104.32 0.42 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.226 -0.921 . . . . 0.0 109.419 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.34 67.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.256 -0.902 . . . . 0.0 109.527 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ALA . 13.8 mt 52.47 -154.46 0.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.477 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -155.46 141.32 18.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 0.0 109.455 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.26 110.84 1.03 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.98 -80.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.31 118.41 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.441 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.427 ' OG ' ' OD1' ' A' ' 13' ' ' ASP . 88.1 p -64.91 134.02 53.09 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.222 -0.924 . . . . 0.0 108.883 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.66 -25.36 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.137 -0.977 . . . . 0.0 109.026 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 38.0 mm-40 -70.71 -47.76 58.09 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.09 -1.007 . . . . 0.0 109.012 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.8 m-20 -67.96 -33.74 75.24 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.202 -0.936 . . . . 0.0 109.546 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.1 tm? -72.44 -49.47 33.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.138 -0.976 . . . . 0.0 109.328 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LYS . 89.8 mt -76.62 -28.52 56.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.891 -1.131 . . . . 0.0 110.233 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -58.72 -46.36 87.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.835 -1.166 . . . . 0.0 109.365 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.06 -28.96 62.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.759 -1.213 . . . . 0.0 108.614 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.42 -31.27 57.81 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . 17.9 tptm -55.63 -47.82 75.96 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' OG1' ' A' ' 34' ' ' THR . 3.7 mtmp? -60.6 -43.63 97.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.019 -1.05 . . . . 0.0 108.859 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.95 -34.56 56.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.321 -0.862 . . . . 0.0 109.507 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -73.79 -53.41 10.33 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -57.59 -49.77 75.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.787 -1.196 . . . . 0.0 109.892 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 81.6 mt-10 -57.8 -51.73 68.37 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.156 -0.965 . . . . 0.0 108.73 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -57.47 -40.86 79.47 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.2 -0.938 . . . . 0.0 109.055 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.94 70.52 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.76 -15.37 28.77 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.65 10.68 49.59 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -150.41 158.9 44.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.442 -1.034 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -139.69 126.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -81.41 140.44 34.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -56.32 -27.29 55.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.513 -0.742 . . . . 0.0 109.257 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.7 p -54.3 -43.29 70.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.897 . . . . 0.0 109.701 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.527 ' OG1' ' NZ ' ' A' ' 20' ' ' LYS . 52.7 m -82.61 -48.2 11.23 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.171 -0.956 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -53.1 -46.31 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.152 -0.967 . . . . 0.0 109.328 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t80 -71.06 -48.68 51.32 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.514 -0.741 . . . . 0.0 110.071 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -71.38 -14.6 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.476 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -77.05 -35.99 56.38 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.273 -0.892 . . . . 0.0 108.865 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.16 -39.74 71.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.185 -0.947 . . . . 0.0 109.098 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.14 -48.32 68.02 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.68 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.49 -41.71 69.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.712 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.476 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.6 mt -78.59 -39.7 36.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.107 -0.996 . . . . 0.0 110.948 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 39' ' ' ALA . 87.2 t -52.72 -23.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.878 -1.139 . . . . 0.0 109.536 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.3 OUTLIER -101.88 22.69 12.57 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.2 t -82.92 165.49 19.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.036 -1.04 . . . . 0.0 109.635 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -90.38 1.16 56.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.253 -0.904 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -108.93 145.18 35.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.436 -0.79 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -70.71 -48.24 55.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.911 . . . . 0.0 110.223 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 36.4 p-10 -52.05 -34.76 44.85 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.99 -1.069 . . . . 0.0 110.56 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 6.0 m-20 -68.0 -32.71 73.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.87 -1.144 . . . . 0.0 109.14 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.8 mt -78.48 -45.04 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.83 -1.169 . . . . 0.0 108.562 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -53.99 -54.33 40.61 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -55.32 -47.9 74.96 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.12 -36.69 91.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.02 -40.01 75.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 121.124 -1.221 . . . . 0.0 108.87 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.26 -47.95 85.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.06 -50.4 36.76 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.76 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -69.17 -42.71 75.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.873 -1.142 . . . . 0.0 110.111 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.72 -37.29 50.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.903 -1.123 . . . . 0.0 109.785 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -74.4 -29.23 61.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 109.734 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.93 -30.79 58.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.263 -0.898 . . . . 0.0 110.819 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -53.57 -55.71 32.26 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 120.758 -1.214 . . . . 0.0 111.1 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -51.73 -28.36 29.82 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 N-CA-C 109.606 -0.959 . . . . 0.0 109.606 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.1 7.14 47.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.859 . . . . 0.0 108.962 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.78 149.41 18.51 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 t -64.52 -175.94 0.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.273 . . . . 0.0 108.661 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -76.08 -46.89 26.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.689 -1.257 . . . . 0.0 109.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.32 -44.48 68.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.94 -32.56 67.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.476 -0.765 . . . . 0.0 109.004 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -69.52 -38.98 77.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.126 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CZ ' ' OE2' ' A' ' 101' ' ' GLU . 39.4 mtm180 -52.55 -39.62 61.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.027 . . . . 0.0 109.254 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.07 -45.18 58.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.049 -1.032 . . . . 0.0 108.491 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 7.3 m-30 -57.25 -40.42 77.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.23 -35.33 48.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.677 -0.639 . . . . 0.0 110.82 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -68.72 -39.32 80.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.522 -1.361 . . . . 0.0 110.197 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.62 -44.65 96.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.104 -0.997 . . . . 0.0 109.764 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.45 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 0.0 109.269 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.76 -39.46 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.12 -42.31 84.54 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -65.7 -27.33 68.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -1.127 . . . . 0.0 109.548 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -74.23 -29.38 61.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.882 . . . . 0.0 108.904 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -67.66 -46.45 72.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 0.0 109.554 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 51.8 mt -69.21 20.69 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.232 -0.918 . . . . 0.0 110.144 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER 65.53 -8.31 0.29 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 109.556 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -67.45 97.66 0.59 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.053 -1.029 . . . . 0.0 109.192 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.36 -36.45 22.49 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 0.0 109.768 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 23.0 mp0 -64.87 -50.12 67.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -0.932 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.68 71.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.0 109.801 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -55.87 -18.57 9.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 108.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -74.48 -41.72 60.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.975 -1.078 . . . . 0.0 108.382 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -75.88 -35.26 59.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.547 -0.72 . . . . 0.0 110.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.09 -33.18 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.109 -0.994 . . . . 0.0 110.337 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.69 -46.59 62.87 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.401 -1.437 . . . . 0.0 109.086 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.01 -28.95 74.08 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.49 ' O ' ' OG1' ' A' ' 100' ' ' THR . 22.2 tp -60.65 -36.97 80.01 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.541 -0.976 . . . . 0.0 108.833 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 107' ' ' ALA . 74.3 mt -75.83 -34.64 60.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.186 . . . . 0.0 109.132 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.85 -24.93 17.41 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 41.5 p -94.48 -48.22 6.21 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' OE2' ' CZ ' ' A' ' 71' ' ' ARG . 48.0 mt-10 -128.44 77.33 77.34 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.792 -0.568 . . . . 0.0 110.056 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.94 -24.54 53.09 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.287 1.325 . . . . 0.0 109.604 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.45 0.4 22.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 0.0 109.62 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 6.7 t-20 -80.84 107.16 13.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -75.23 -38.33 60.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.824 . . . . 0.0 109.896 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.595 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 8.4 mp0 -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.58 -28.37 45.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.085 -1.01 . . . . 0.0 109.107 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.43 -50.85 16.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.79 -31.93 67.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.127 -0.983 . . . . 0.0 109.13 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.61 -42.65 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 108.931 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.39 -28.67 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.586 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -67.04 -42.53 84.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 0.0 109.881 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.23 -46.88 82.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.0 mt -67.99 -52.62 37.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.608 -0.683 . . . . 0.0 109.688 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.79 -44.54 82.0 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.33 -0.856 . . . . 0.0 109.853 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 -52.55 64.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.04 78.29 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 22.3 ttm -49.46 -46.89 48.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.544 -0.722 . . . . 0.0 110.697 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.06 67.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.35 . . . . 0.0 109.204 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 122' ' ' GLY . 18.0 tptm -55.38 -58.3 8.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.21 21.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -151.06 54.12 0.48 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.26 111.64 1.02 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -1.08 . . . . 0.0 109.806 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER -95.76 -158.18 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.513 ' H ' HG12 ' A' ' 124' ' ' VAL . . . -46.06 124.38 7.37 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 126' ' ' MET . 0.4 OUTLIER -56.28 -104.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 0.0 109.213 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.4 132.73 41.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.21 -0.932 . . . . 0.0 109.128 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 129' ' ' VAL . 18.8 mm -137.93 159.89 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.416 ' N ' HG22 ' A' ' 128' ' ' ILE . 9.9 t -146.43 60.65 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.248 -0.907 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.78 -72.77 0.21 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.11 53.41 45.83 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -170.92 -38.79 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -1.16 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.89 159.33 30.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.242 -0.911 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.07 163.41 24.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.945 . . . . 0.0 109.471 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -73.18 -61.88 3.3 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -66.5 68.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.209 -1.171 . . . . 0.0 109.492 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -77.07 51.35 0.81 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.187 -0.945 . . . . 0.0 109.497 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -71.97 54.56 1.39 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.7 -49.84 28.66 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -1.144 . . . . 0.0 109.408 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.59 173.84 0.89 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.889 . . . . 0.0 109.518 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 170.51 103.47 0.17 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 143' ' ' ILE . 0.3 OUTLIER -164.97 4.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 142' ' ' LEU . 15.1 tt -87.55 -42.84 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.242 -0.911 . . . . 0.0 109.475 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.516 ' N ' HG23 ' A' ' 143' ' ' ILE . . . 150.55 -50.21 0.54 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 145' ' ' LEU . 2.9 mm? -63.46 -111.57 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.305 -1.115 . . . . 0.0 109.23 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 148' ' ' HIS . 1.2 tm-20 65.85 140.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.515 ' N ' ' OE2' ' A' ' 146' ' ' GLU . 32.6 m80 -147.06 49.48 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.539 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 4.2 t60 -77.61 -48.6 16.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.304 -0.873 . . . . 0.0 109.293 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.619 ' CE1' ' CE1' ' A' ' 150' ' ' HIS . 9.6 t-160 51.02 -119.62 1.45 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.619 ' CE1' ' CE1' ' A' ' 149' ' ' HIS . 0.1 OUTLIER -153.02 65.02 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 34.9 t60 -166.0 -73.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.41 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 65.7 m-70 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.467 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -169.08 80.76 0.13 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.21 136.09 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.0 109.368 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -169.36 151.56 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.308 -0.87 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.4 mp -78.22 -175.16 4.02 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.288 -0.882 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -88.32 -165.12 1.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 0.0 109.421 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.99 147.63 25.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.334 -0.854 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -62.57 -113.11 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.12 -0.988 . . . . 0.0 109.066 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 14' ' ' LEU . 23.3 t -109.32 125.61 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.451 -0.781 . . . . 0.0 109.363 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.8 p -59.55 139.54 57.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.213 -0.929 . . . . 0.0 108.916 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.55 -28.05 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 108.982 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 59.6 mt-10 -65.93 -45.72 80.81 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.049 -1.032 . . . . 0.0 109.464 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.61 -45.34 87.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.852 . . . . 0.0 110.581 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 9' ' ' VAL . 4.3 mt -65.03 -44.72 88.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.742 -1.224 . . . . 0.0 109.808 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.46 -33.58 48.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.741 -1.224 . . . . 0.0 110.008 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 29.8 ttpt -56.14 -52.31 64.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.025 -1.047 . . . . 0.0 109.535 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.66 -26.96 60.21 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.167 -0.958 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.24 -36.69 74.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' NZ ' ' OG ' ' A' ' 23' ' ' SER . 3.8 tptp -54.36 -47.94 72.02 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -57.74 -49.58 76.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.204 -0.935 . . . . 0.0 109.041 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -53.98 -33.75 57.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.4 -0.812 . . . . 0.0 109.093 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -74.27 -52.8 11.23 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.299 -0.876 . . . . 0.0 109.937 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.459 ' OG ' ' NZ ' ' A' ' 19' ' ' LYS . 10.2 m -62.58 -50.91 69.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.587 -1.32 . . . . 0.0 110.421 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' SER . 63.6 mt-10 -58.37 -38.95 78.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.044 -1.035 . . . . 0.0 108.968 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -69.83 -40.53 75.79 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.72 70.97 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -14.86 27.28 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 14.92 55.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' GLU . 54.9 m -153.7 123.54 6.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.266 -1.138 . . . . 0.0 109.727 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.87 123.8 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.503 -0.748 . . . . 0.0 109.738 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -72.58 140.07 47.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.45 -0.781 . . . . 0.0 109.363 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -56.9 -28.64 62.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.188 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' OE1' ' A' ' 37' ' ' GLU . 97.8 p -54.95 -48.49 73.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.865 . . . . 0.0 109.48 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 24' ' ' GLU . 6.0 m -63.8 -46.64 84.25 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.165 -0.96 . . . . 0.0 109.189 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.02 -39.3 66.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 20.6 m-85 -66.65 -52.38 45.63 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.179 -0.95 . . . . 0.0 110.718 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 33' ' ' SER . 1.5 mp0 -72.42 -14.74 61.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.024 -1.047 . . . . 0.0 110.115 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 42' ' ' LEU . 50.3 t80 -77.58 -34.61 53.58 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.977 -1.077 . . . . 0.0 108.977 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.89 -36.17 67.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.278 -0.889 . . . . 0.0 109.117 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.687 ' HE1' ' NH2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -56.44 -53.02 62.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.997 -1.064 . . . . 0.0 108.396 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.8 m -53.86 -40.9 66.93 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.631 -0.668 . . . . 0.0 110.196 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 38' ' ' TYR . 18.7 mt -76.55 -38.43 55.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 39' ' ' ALA . 71.3 t -53.0 -19.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.116 -0.99 . . . . 0.0 108.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.687 ' NH2' ' HE1' ' A' ' 40' ' ' TRP . 50.1 mtm180 -119.09 16.67 13.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.025 -0.422 . . . . 0.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 47' ' ' TYR . 2.3 m -73.59 16.03 0.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.761 -1.212 . . . . 0.0 110.728 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 60.58 -35.65 0.08 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.249 -0.907 . . . . 0.0 111.392 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 45' ' ' SER . 69.8 m-85 -79.08 142.31 36.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.618 -1.301 . . . . 0.0 109.42 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 49' ' ' ASP . 2.7 p-10 -70.71 -47.0 62.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.289 -0.882 . . . . 0.0 110.188 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 36.2 t70 -52.34 -39.47 60.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 110.747 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.59 -31.2 63.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.82 -1.175 . . . . 0.0 109.376 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.48 -43.51 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.935 -1.103 . . . . 0.0 108.75 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -51.77 -44.12 63.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -64.39 -38.86 92.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.81 69.4 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.37 -54.85 27.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 120.984 -1.303 . . . . 0.0 108.424 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 56' ' ' VAL . 27.9 t -53.24 -51.05 43.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.5 mt -48.88 -47.65 42.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.402 -0.811 . . . . 0.0 109.816 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.25 -43.69 40.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.694 -1.254 . . . . 0.0 110.29 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -52.53 -41.65 63.66 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.772 -1.205 . . . . 0.0 110.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.31 -31.59 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.0 109.695 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 36' ' ' PHE . 80.9 mt -76.02 -30.83 58.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.233 -0.917 . . . . 0.0 111.247 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.8 mp -51.75 -55.06 33.34 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 120.728 -1.233 . . . . 0.0 111.374 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.2 Cg_exo -54.08 -25.26 36.29 Favored 'Trans proline' 0 C--N 1.321 -0.877 0 CA-C-N 119.396 0.82 . . . . 0.0 110.12 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.57 49.48 0.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.302 -0.874 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 157.92 27.5 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -76.06 -170.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 0.0 109.319 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.3 -38.3 65.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.024 -1.048 . . . . 0.0 109.575 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.97 -42.24 63.53 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.64 -39.26 73.37 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 74' ' ' VAL . 80.6 mt-30 -64.52 -45.45 87.16 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.852 . . . . 0.0 109.511 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -50.05 -31.72 13.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.008 -1.058 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -76.5 -41.19 47.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.903 -1.123 . . . . 0.0 109.234 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m-85 -73.54 -39.49 64.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.888 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 74.8 t -57.77 -33.39 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -65.94 -48.56 70.97 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.479 -0.763 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.35 -39.94 89.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.835 -1.165 . . . . 0.0 110.179 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.16 -24.47 66.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.365 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.78 -34.56 60.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.142 -0.973 . . . . 0.0 109.12 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.59 -35.86 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.686 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.93 -44.34 94.7 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -67.99 -29.19 68.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.178 -1.189 . . . . 0.0 109.754 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -62.65 -38.75 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 85' ' ' LYS . 70.5 mtt180 -75.25 -43.59 50.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.996 -1.065 . . . . 0.0 110.049 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' GLU . 73.5 mt -64.13 29.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.904 -1.122 . . . . 0.0 110.621 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 83' ' ' ARG . 19.2 mtpp 63.2 -34.11 0.13 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.131 -0.981 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.06 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.649 -1.282 . . . . 0.0 108.825 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 58.5 m-85 -84.59 -38.67 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.386 -0.821 . . . . 0.0 110.307 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.86 -47.46 68.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.077 -1.015 . . . . 0.0 110.888 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -55.44 -52.53 63.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.834 -1.166 . . . . 0.0 109.788 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.77 55.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 108.671 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 114' ' ' ILE . 6.3 tp -75.82 -19.4 58.96 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.7 -46.88 18.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.513 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -65.65 -48.94 70.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -0.853 . . . . 0.0 110.197 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.01 -39.86 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.935 . . . . 0.0 109.785 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -57.14 -34.73 68.7 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.708 -1.245 . . . . 0.0 108.065 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.87 95.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 2.7 mm? -57.32 -39.07 75.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.225 -1.162 . . . . 0.0 108.969 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ALA . 10.4 mt -76.36 -50.01 15.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.142 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -54.49 -16.55 2.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.791 -1.193 . . . . 0.0 107.786 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.5 p -103.46 -48.7 3.9 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.625 0.726 . . . . 0.0 109.207 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' LEU . 69.0 mm-40 -138.35 83.24 21.76 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.834 -0.541 . . . . 0.0 109.941 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 5.1 Cg_exo -61.26 -15.58 41.08 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.053 1.169 . . . . 0.0 109.432 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -82.09 -2.73 52.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.431 -0.793 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -82.52 106.26 14.24 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.6 -31.51 62.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.0 109.904 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -56.86 -32.6 65.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.92 -27.77 43.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 108.903 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 88.3 mttt -75.3 -50.6 15.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.849 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.61 -34.64 69.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.129 -0.982 . . . . 0.0 109.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.37 -44.48 91.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 108.719 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.532 ' HG3' HD11 ' A' ' 91' ' ' LEU . 27.6 tt0 -57.17 -33.64 67.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 108.465 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.23 -50.78 70.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.48 -0.762 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.45 -46.8 83.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 91' ' ' LEU . 67.7 mt -63.14 -42.3 96.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.532 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -72.71 -45.06 60.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.905 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -56.92 -38.56 73.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.674 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.68 76.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 108.418 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.2 mtt -46.96 -48.32 21.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 109.918 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.91 -36.36 83.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.547 -1.346 . . . . 0.0 109.239 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 122' ' ' GLY . 19.4 ttpp -66.72 -56.88 8.54 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -0.886 . . . . 0.0 109.377 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.93 54.94 0.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.0 109.457 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -149.25 52.31 0.53 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.08 111.22 0.45 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -1.089 . . . . 0.0 109.606 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 125' ' ' GLY . 7.5 p -97.52 160.46 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.609 -0.682 . . . . 0.0 109.539 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.529 ' N ' HG22 ' A' ' 124' ' ' VAL . . . 116.12 -71.81 0.27 Allowed Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 126' ' ' MET . 1.5 mpt? -51.98 -97.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -1.141 . . . . 0.0 109.046 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.68 131.76 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.186 -0.946 . . . . 0.0 108.901 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.4 mt -124.99 144.08 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.59 -0.694 . . . . 0.0 109.355 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.89 -40.68 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.328 -0.858 . . . . 0.0 109.212 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -54.57 -11.86 2.99 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.41 175.51 37.29 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 39.2 mtt -70.93 136.77 48.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -1.148 . . . . 0.0 109.551 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.51 157.84 31.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 109.358 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.06 103.45 3.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.252 -0.905 . . . . 0.0 109.455 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -68.07 -140.43 0.08 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 67.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -1.15 . . . . 0.0 109.427 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -72.9 -90.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.241 -0.912 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.67 100.74 0.15 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 139' ' ' LEU . 8.5 mp -53.74 -65.68 0.52 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.51 -160.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 0.0 109.398 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 171.63 42.5 0.04 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.86 -75.82 0.13 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -1.183 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 17.2 pt -87.93 9.72 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.4 116.62 9.62 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.1 mt -79.0 -152.31 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -1.168 . . . . 0.0 109.446 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 146' ' ' GLU . 1.6 mp0 -84.38 74.71 10.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.26 -0.9 . . . . 0.0 109.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -162.9 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.493 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.603 ' CG ' ' H ' ' A' ' 149' ' ' HIS . 0.0 OUTLIER -173.44 -102.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.499 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.603 ' H ' ' CG ' ' A' ' 148' ' ' HIS . 3.9 m-70 -51.26 -65.17 0.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.482 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 149' ' ' HIS . 57.8 m80 -157.95 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.413 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.3 -178.14 0.46 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 109.448 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.507 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 54.44 83.96 0.07 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.893 . . . . 0.0 109.468 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -174.37 132.43 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.526 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' ALA . 94.3 t 51.45 98.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.0 109.598 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 5' ' ' LEU . 3.0 mp -54.31 -177.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.256 -0.903 . . . . 0.0 109.476 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -99.3 94.9 6.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.378 -0.826 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 9' ' ' VAL . 15.4 pt-20 -85.12 178.87 7.38 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.944 . . . . 0.0 109.348 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.6 mp -51.22 91.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.074 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' A' ' 7' ' ' GLU . 20.2 t 56.96 116.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.622 -0.674 . . . . 0.0 110.295 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 145.78 53.2 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.24 -28.46 14.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.074 -1.016 . . . . 0.0 108.672 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 14.5 mm-40 -66.61 -44.81 81.06 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.44 -46.52 79.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -44.0 95.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.937 -1.102 . . . . 0.0 109.932 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.45 -37.53 51.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.929 -1.107 . . . . 0.0 109.451 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' NZ ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.97 -46.73 75.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.966 . . . . 0.0 109.023 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 19.5 m-85 -74.85 -27.9 60.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.098 -1.001 . . . . 0.0 108.822 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.34 -37.14 74.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -54.07 -45.87 71.86 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -56.72 -48.01 78.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.018 -1.051 . . . . 0.0 108.435 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.59 -33.41 66.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.245 -0.909 . . . . 0.0 109.233 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -73.1 -52.39 14.43 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.412 -0.805 . . . . 0.0 109.692 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 m -64.65 -47.71 77.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.777 -1.202 . . . . 0.0 109.971 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' SER . 52.1 mm-40 -57.58 -40.41 78.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.121 -0.987 . . . . 0.0 108.891 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -71.22 -37.35 72.05 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.936 . . . . 0.0 108.774 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -41.55 71.26 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -14.96 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.68 16.69 51.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.7 m -156.67 123.41 5.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.441 -1.035 . . . . 0.0 109.514 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.0 121.55 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.536 -0.727 . . . . 0.0 109.523 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -71.69 138.97 48.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.809 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.14 -31.45 65.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.088 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -54.14 -49.13 69.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.485 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.1 m -64.88 -44.67 88.9 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.122 -0.986 . . . . 0.0 109.135 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -55.2 -37.31 66.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 109.517 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 21.9 m-85 -69.85 -51.32 34.48 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.226 -0.921 . . . . 0.0 110.583 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 67.0 mt-10 -72.02 -16.05 62.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.129 -0.982 . . . . 0.0 110.613 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 35.2 t80 -78.91 -34.42 44.66 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 109.108 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.29 69.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.194 -0.941 . . . . 0.0 108.996 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.494 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.9 -52.93 63.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 108.4 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -53.05 -38.9 62.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.137 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 19.3 mt -77.09 -39.78 48.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.915 -1.115 . . . . 0.0 110.35 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 39' ' ' ALA . 88.7 t -53.1 -21.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 O-C-N 121.101 -0.999 . . . . 0.0 109.925 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -117.14 31.02 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.741 -0.599 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 p -85.12 159.26 20.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 109.575 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 45.7 tttp -82.23 34.64 0.42 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.292 -0.88 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 39.7 m-85 -150.64 141.75 23.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.15 -0.969 . . . . 0.0 109.273 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -71.38 -45.78 61.97 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 0.0 110.28 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 35.3 p-10 -50.73 -35.46 31.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.017 -1.052 . . . . 0.0 110.749 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 4.2 m-20 -74.25 -34.3 63.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.931 -1.105 . . . . 0.0 109.436 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -76.96 -52.92 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.823 -1.173 . . . . 0.0 109.581 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -52.61 -25.19 9.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -80.18 -41.92 24.38 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.66 -40.55 96.63 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.64 -42.98 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 O-C-N 120.815 -1.403 . . . . 0.0 108.08 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 52' ' ' ARG . 99.3 t -61.37 -47.88 91.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.117 -0.989 . . . . 0.0 108.552 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 57' ' ' LEU . 34.5 mt -48.5 -48.83 37.85 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.688 -0.632 . . . . 0.0 110.025 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 77' ' ' LEU . 55.1 mt -70.48 -37.74 74.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.773 -1.205 . . . . 0.0 110.087 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.29 -43.45 64.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.063 -1.023 . . . . 0.0 110.212 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -71.97 -29.67 64.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.074 -1.016 . . . . 0.0 109.749 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.51 -30.36 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.125 -0.984 . . . . 0.0 110.936 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.3 mp -52.4 -55.94 27.18 Favored Pre-proline 0 N--CA 1.487 1.399 0 O-C-N 120.772 -1.205 . . . . 0.0 111.247 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 Cg_exo -54.88 -30.29 67.73 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.521 0.814 . . . . 0.0 110.13 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.2 33.53 1.08 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.184 -0.948 . . . . 0.0 109.772 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.57 154.8 23.83 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 44.3 t -71.68 -170.93 0.6 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -1.156 . . . . 0.0 109.247 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -74.58 -39.32 62.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.665 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 8.0 mm-40 -71.15 -48.42 51.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 108.87 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.24 -33.0 64.99 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 0.0 108.842 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 66' ' ' SER . 38.9 mt-30 -67.46 -42.51 82.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 108.878 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' OE2' ' A' ' 68' ' ' GLU . 58.9 mtm180 -52.48 -30.63 31.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.173 -0.954 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -76.26 -51.98 10.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.098 -1.001 . . . . 0.0 109.524 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.1 m-85 -61.91 -30.66 71.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.089 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.2 -39.32 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.07 -43.77 91.79 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.799 -0.563 . . . . 0.0 110.238 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -71.33 -37.49 71.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.851 -1.155 . . . . 0.0 110.101 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 58' ' ' LEU . 78.1 mt -60.94 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.616 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.8 90.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.27 -39.55 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.61 87.75 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -65.62 -26.22 67.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.248 -1.148 . . . . 0.0 109.147 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.76 -30.1 67.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 85' ' ' LYS . 29.4 mmt180 -71.24 -48.44 51.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.478 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 86' ' ' GLU . 47.5 mt -67.71 45.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 109.604 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' ARG . 16.2 ptmt 31.17 31.3 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.207 0.527 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' LEU . 12.3 tp10 -106.39 97.03 6.88 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -85.37 -30.81 23.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.449 -0.782 . . . . 0.0 110.627 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 6.9 mp0 -66.58 -52.46 45.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.145 . . . . 0.0 110.806 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -67.74 -41.25 83.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.887 -1.133 . . . . 0.0 110.209 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.88 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 109.571 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -61.53 -19.71 62.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.09 -1.006 . . . . 0.0 109.035 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -71.1 -39.06 72.34 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.935 -1.103 . . . . 0.0 108.442 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -76.31 -42.0 46.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.637 -0.664 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -32.81 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -71.18 -48.09 53.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.471 -1.393 . . . . 0.0 109.219 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.61 -31.31 80.47 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 21.5 tp -57.96 -38.69 76.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.531 -0.982 . . . . 0.0 108.918 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 107' ' ' ALA . 75.0 mt -75.79 -33.58 60.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.831 -1.168 . . . . 0.0 109.579 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -53.94 -25.16 19.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 43.1 p -94.06 -48.71 6.11 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -130.36 77.69 75.67 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.793 -0.567 . . . . 0.0 110.093 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.424 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 2.3 Cg_endo -65.24 -17.28 58.04 Favored 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.307 1.338 . . . . 0.0 109.711 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -80.7 -2.83 48.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 0.0 109.708 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.05 102.46 5.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -69.98 -41.79 73.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.88 -28.5 56.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.269 -0.894 . . . . 0.0 109.391 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.491 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.56 -30.96 47.16 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.0 109.152 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 84.1 mttt -72.43 -50.82 23.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.907 . . . . 0.0 109.692 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.78 -31.42 68.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.382 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.66 -40.82 97.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -61.13 -34.16 74.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.268 -0.895 . . . . 0.0 109.423 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.67 ' HE ' ' HZ1' ' A' ' 116' ' ' LYS . 50.0 mtp180 -63.37 -43.52 97.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.0 -48.0 79.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.093 -1.005 . . . . 0.0 109.126 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.521 HG21 ' CD1' ' A' ' 91' ' ' LEU . 50.9 mt -66.58 -52.77 42.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.575 -0.703 . . . . 0.0 109.83 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.94 -41.4 78.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HZ1' ' HE ' ' A' ' 112' ' ' ARG . 45.4 mttp -58.26 -51.87 67.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.016 . . . . 0.0 109.727 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' O ' ' OD2' ' A' ' 121' ' ' ASP . . . -57.72 -49.56 76.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.6 ttm -47.99 -47.2 33.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.585 -0.697 . . . . 0.0 110.155 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.24 -31.62 23.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.722 -1.236 . . . . 0.0 109.205 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 31.0 ttmt -86.92 45.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.264 -0.898 . . . . 0.0 109.334 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 117' ' ' ALA . 60.7 m-20 -159.02 7.87 0.11 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.934 . . . . 0.0 109.204 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 123' ' ' LEU . . . -155.86 -32.56 0.03 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.1 mt 52.56 105.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.468 ' H ' HG23 ' A' ' 124' ' ' VAL . 2.3 t -62.01 159.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.276 -0.89 . . . . 0.0 109.2 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 84.34 -98.5 2.18 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.9 mmt 47.77 -112.62 0.47 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.295 -1.12 . . . . 0.0 109.697 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.91 129.04 34.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 109.737 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -179.24 169.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.2 t -147.26 -16.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.276 -0.89 . . . . 0.0 109.34 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.92 134.01 1.57 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.426 ' C ' ' SD ' ' A' ' 132' ' ' MET . . . -173.79 146.09 8.59 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.2 mpt? 51.83 -135.62 1.45 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -1.141 . . . . 0.0 109.475 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.52 140.68 4.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.15 173.96 5.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.464 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -177.25 -43.65 0.06 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.66 -12.5 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -1.126 . . . . 0.0 109.484 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.31 1.28 5.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.441 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 65.88 70.06 1.19 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.44 82.98 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -1.119 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.49 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 109.441 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.45 ' H ' HD12 ' A' ' 142' ' ' LEU . . . 157.84 45.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 142' ' ' LEU . 7.2 mp -72.61 -118.09 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.374 -1.074 . . . . 0.0 109.424 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 18.5 pt -77.55 -27.58 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -0.939 . . . . 0.0 109.419 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -78.0 130.17 9.98 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.705 ' H ' HD23 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -147.99 -171.67 3.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.262 -1.14 . . . . 0.0 109.409 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -54.79 138.26 42.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 109.458 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -161.71 86.5 0.65 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.452 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 148' ' ' HIS . 62.7 t60 -168.55 15.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 151' ' ' HIS . 12.1 t-80 -166.81 2.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.378 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 152' ' ' HIS . 57.7 t-80 -64.62 76.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.338 -0.852 . . . . 0.0 109.554 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 149' ' ' HIS . 11.7 t60 55.72 -82.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.459 -0.776 . . . . 0.0 109.718 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 150' ' ' HIS . 13.8 m80 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.472 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -166.63 -47.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.57 122.99 37.72 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.186 -0.946 . . . . 0.0 109.406 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.94 138.0 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.311 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.7 mm? -88.52 94.26 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.05 20.25 1.03 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.173 -0.954 . . . . 0.0 108.967 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 8' ' ' LEU . 33.7 tt0 -173.28 109.99 0.18 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.613 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.81 -100.2 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.46 -0.775 . . . . 0.0 109.485 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.0 t -86.89 141.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 m -80.51 133.69 35.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.62 -25.77 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 108.896 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 51.7 mt-10 -65.89 -46.62 77.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.232 -0.918 . . . . 0.0 108.952 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -68.04 -34.2 76.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.278 -0.889 . . . . 0.0 109.945 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -68.87 -49.73 55.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.01 . . . . 0.0 109.48 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -78.44 -34.56 47.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.964 . . . . 0.0 110.512 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.5 tmmm? -52.01 -45.34 64.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.008 -1.058 . . . . 0.0 109.271 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.06 -27.39 48.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.1 -1.0 . . . . 0.0 108.845 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -55.31 -47.44 75.6 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.12 -47.96 81.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.049 -1.032 . . . . 0.0 108.76 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.03 -32.72 66.47 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.263 -0.898 . . . . 0.0 109.2 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -73.19 -52.3 14.64 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.575 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -62.72 -48.82 77.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.789 -1.195 . . . . 0.0 110.039 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' SER . 16.9 mm-40 -57.66 -42.59 83.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.139 -0.976 . . . . 0.0 109.07 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -68.37 -39.91 81.63 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.204 -0.935 . . . . 0.0 108.905 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.15 74.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.16 -15.46 14.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.39 53.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.13 122.72 7.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.435 -1.038 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.52 121.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.717 . . . . 0.0 109.636 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -73.79 137.52 43.94 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.424 -0.798 . . . . 0.0 109.423 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.7 -28.66 61.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -0.892 . . . . 0.0 109.237 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 m -61.8 -49.02 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -67.53 -40.7 85.06 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.171 -0.956 . . . . 0.0 109.242 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.642 ' NE2' HD22 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -60.98 -45.65 93.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 108.798 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.1 m-85 -65.59 -49.83 67.35 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.525 -0.735 . . . . 0.0 110.449 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 44.5 mt-10 -70.79 -14.91 62.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.933 -1.104 . . . . 0.0 109.748 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 19.3 t80 -78.75 -37.21 41.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.166 -0.959 . . . . 0.0 109.028 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -70.81 -37.69 73.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.106 -0.996 . . . . 0.0 108.887 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -54.14 -51.33 64.62 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 m -53.2 -40.27 64.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.819 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -77.81 -42.15 34.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.026 -1.046 . . . . 0.0 110.403 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 98.7 t -53.28 -21.49 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 O-C-N 121.059 -1.026 . . . . 0.0 109.835 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -107.72 31.01 5.79 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.738 -0.601 . . . . 0.0 109.681 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -96.84 159.93 14.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.991 -1.068 . . . . 0.0 109.282 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -79.53 -9.75 59.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -93.57 138.61 31.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.44 -47.96 58.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.0 110.015 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -32.05 20.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 110.252 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.4 -34.47 77.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.929 -1.107 . . . . 0.0 108.956 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.4 mt -79.68 -47.11 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.869 -1.144 . . . . 0.0 108.466 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.521 HH11 ' HG2' ' A' ' 52' ' ' ARG . 3.0 ttt-85 -55.54 -27.84 51.29 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -83.64 -46.97 11.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.07 91.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.0 mt -65.08 -44.42 95.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.057 -1.26 . . . . 0.0 108.83 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -62.08 -48.35 88.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD22 ' NE2' ' A' ' 35' ' ' GLN . 38.7 mt -49.53 -43.65 45.83 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 120.316 -0.554 . . . . 0.0 109.673 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.36 -45.37 55.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.705 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -52.65 -35.62 55.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.19 -0.944 . . . . 0.0 110.288 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.7 -35.03 65.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.089 -1.007 . . . . 0.0 110.361 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.62 -29.19 56.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.137 -0.977 . . . . 0.0 110.925 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 mp -50.98 -56.03 23.05 Favored Pre-proline 0 N--CA 1.487 1.398 0 O-C-N 120.759 -1.213 . . . . 0.0 110.9 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.6 Cg_exo -54.23 -27.78 49.03 Favored 'Trans proline' 0 C--N 1.323 -0.777 0 N-CA-C 110.033 -0.795 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -93.34 26.33 2.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.223 -0.923 . . . . 0.0 109.494 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.22 154.54 20.88 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -73.92 -169.25 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -1.114 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -74.36 -38.29 63.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.053 . . . . 0.0 109.695 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.96 -49.49 51.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.191 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.58 -32.65 69.15 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.303 -0.873 . . . . 0.0 109.075 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 40.3 mt-30 -66.24 -45.93 78.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.133 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -52.43 -30.8 31.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.938 . . . . 0.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.19 -51.91 11.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.012 -1.055 . . . . 0.0 109.566 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.1 m-85 -61.8 -33.84 74.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.079 -1.013 . . . . 0.0 109.185 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 38.6 t -58.87 -39.57 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.57 -46.57 88.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.764 -0.585 . . . . 0.0 110.572 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -68.13 -37.75 81.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.706 -1.246 . . . . 0.0 110.246 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -43.65 96.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.6 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.111 -0.993 . . . . 0.0 109.292 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.49 -38.39 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.09 -41.9 69.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -69.45 -27.29 65.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -1.207 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.5 t80 -71.51 -29.88 65.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 109.413 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 61.1 ttt180 -72.94 -42.71 63.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.113 -0.992 . . . . 0.0 109.976 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 86' ' ' GLU . 74.5 mt -70.36 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.965 -1.084 . . . . 0.0 109.926 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.3 mtpt 58.85 -0.59 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 0.0 110.061 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.07 94.6 4.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.026 . . . . 0.0 108.698 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.72 -36.43 21.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.94 -50.77 69.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.76 -45.77 88.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.977 . . . . 0.0 109.903 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.5 73.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.554 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.1 mp -58.83 -18.35 31.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.157 -0.964 . . . . 0.0 109.021 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.87 -39.73 61.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.827 -1.17 . . . . 0.0 108.525 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -76.21 -37.8 57.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 110.13 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -31.69 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.301 -178.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -75.25 -48.24 24.28 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.468 -1.395 . . . . 0.0 109.206 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.42 -28.64 71.44 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.3 -38.8 92.58 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.5 -1.0 . . . . 0.0 108.354 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -78.88 -29.66 44.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.016 -1.053 . . . . 0.0 110.67 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -53.74 -37.36 63.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -34.45 16.58 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -133.91 73.98 69.96 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.607 -0.683 . . . . 0.0 109.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.0 -18.67 57.44 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.444 1.429 . . . . 0.0 109.727 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.41 -4.8 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.275 -0.891 . . . . 0.0 109.961 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 107' ' ' ALA . 54.2 t-20 -74.66 104.52 5.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.485 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -74.46 -40.55 61.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.44 -28.48 59.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.179 -0.95 . . . . 0.0 109.424 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.726 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -27.27 47.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.073 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -74.33 -50.73 17.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.82 -32.67 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.42 -43.59 98.6 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.8 -34.14 75.37 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -57.04 -45.02 83.5 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.54 -0.725 . . . . 0.0 109.653 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.36 -46.26 83.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.176 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.6 mt -66.45 -46.55 86.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.386 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -54.95 -41.71 71.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.734 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.4 -49.99 72.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 0.0 109.858 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.53 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.149 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.8 mtp -47.98 -48.43 32.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.542 -0.724 . . . . 0.0 110.209 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.35 -20.6 60.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.522 -1.362 . . . . 0.0 109.105 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 122' ' ' GLY . 5.8 tppt? -67.49 -2.67 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 0.0 109.239 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.69 24.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.22 -0.925 . . . . 0.0 109.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 93.37 -20.83 44.03 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.4 mt -49.53 138.58 13.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.135 -1.215 . . . . 0.0 109.001 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 124' ' ' VAL . 1.6 t -70.83 137.13 24.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.306 -0.872 . . . . 0.0 109.592 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 159.62 -78.68 0.17 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.2 mmt 46.56 -139.08 0.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.249 -1.148 . . . . 0.0 109.551 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.81 133.17 52.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 0.0 109.007 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 129' ' ' VAL . 96.0 mt -125.96 162.56 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.216 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 128' ' ' ILE . 5.1 t -145.96 -5.57 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.257 -0.902 . . . . 0.0 109.365 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.13 20.03 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 168.72 -109.06 0.32 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.0 mmt 52.35 21.99 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -1.118 . . . . 0.0 109.422 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.38 144.14 46.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.37 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.51 -155.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.16 -0.963 . . . . 0.0 109.393 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.77 60.86 5.04 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.474 ' H ' HG22 ' A' ' 136' ' ' VAL . 1.6 m -73.58 102.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -1.165 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.75 160.53 43.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.44 86.41 0.93 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.5 mt -81.39 -22.54 38.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.44 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 142' ' ' LEU . . . -141.53 14.56 2.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.301 -0.875 . . . . 0.0 109.363 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -45.62 92.5 0.01 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 144' ' ' GLY . 5.7 mt -78.61 118.27 20.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -1.104 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 143' ' ' ILE . 1.6 mp 61.11 -42.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 CA-C-O 120.84 0.352 . . . . 0.0 110.337 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 142' ' ' LEU . . . 162.3 -173.56 38.6 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.2 mt -87.67 108.6 19.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -1.124 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 22.0 mp0 -46.41 126.19 7.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.305 -0.872 . . . . 0.0 109.682 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -58.48 124.09 18.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.512 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -72.14 162.03 30.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.608 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 0.9 OUTLIER -168.89 -133.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 109.508 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.608 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 93.0 m-70 -157.33 -153.53 0.41 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -169.13 114.99 0.59 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.502 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.321 0.581 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -168.17 -46.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.89 114.68 9.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.7 t -147.5 75.47 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.6 mm? -90.38 178.89 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 109.161 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 1.3 p-10 -164.55 47.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.461 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.33 80.2 0.2 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.023 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.5 -23.37 66.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t -148.93 117.2 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.287 -0.883 . . . . 0.0 109.457 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -81.04 141.29 34.52 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.41 -26.86 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 108.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 81.4 mm-40 -65.93 -45.85 80.34 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.98 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.69 -46.04 84.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.264 -0.898 . . . . 0.0 110.423 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.53 91.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.98 -1.075 . . . . 0.0 109.709 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.39 -36.91 45.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 32.9 ttpt -51.84 -54.27 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.986 -1.071 . . . . 0.0 108.989 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.04 -25.83 64.67 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 108.981 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.31 -35.77 73.87 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -53.96 -47.09 71.69 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -62.36 -48.98 77.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.975 . . . . 0.0 108.794 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -53.65 -37.16 62.85 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.131 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -72.36 -52.53 15.68 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.488 -0.758 . . . . 0.0 109.935 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.91 -50.16 74.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.762 -1.211 . . . . 0.0 109.829 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 29' ' ' SER . 11.8 mm-40 -58.41 -52.0 67.47 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.096 -1.002 . . . . 0.0 108.933 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.6 ttpt -57.16 -41.06 78.48 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.171 -0.956 . . . . 0.0 108.933 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.78 64.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -14.85 34.03 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.75 10.68 46.07 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -153.75 159.1 41.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -1.033 . . . . 0.0 109.191 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.84 123.68 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.372 -0.83 . . . . 0.0 109.426 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.0 m -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 109.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -57.75 -35.72 71.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.306 -0.871 . . . . 0.0 109.166 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.6 t -55.41 -49.55 72.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.71 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.8 m -64.77 -39.43 93.6 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.112 -0.992 . . . . 0.0 109.02 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.933 HE22 HD22 ' A' ' 57' ' ' LEU . 1.7 tm0? -62.28 -37.1 84.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 108.874 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 15.1 m-85 -68.91 -51.31 41.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.293 -0.879 . . . . 0.0 110.464 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.76 -14.27 62.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.853 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.2 t80 -79.24 -34.65 42.55 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -72.26 -34.69 68.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.059 -1.026 . . . . 0.0 108.917 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.71 -53.19 60.64 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.268 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -79.22 -55.94 4.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 39' ' ' ALA . 33.3 m -54.65 -18.25 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.758 -1.214 . . . . 0.0 109.913 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -102.69 19.25 19.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 109.068 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 32.0 t -85.25 -151.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.18 -0.95 . . . . 0.0 109.599 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 45' ' ' SER . 9.0 ptmm? -138.99 39.67 2.14 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.357 -0.84 . . . . 0.0 109.14 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -152.82 131.04 11.97 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -59.49 -39.21 83.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.391 -0.818 . . . . 0.0 111.555 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.79 -44.33 63.4 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.656 -1.277 . . . . 0.0 111.027 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -74.67 -45.2 46.14 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.971 -1.081 . . . . 0.0 109.312 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.13 -48.26 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.746 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 56' ' ' VAL . 96.6 mtt180 -54.63 -30.11 53.97 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -85.4 -40.52 16.37 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.03 -30.83 76.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.66 -42.93 62.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -1.122 . . . . 0.0 109.108 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.8 t -66.17 -44.03 91.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 O-C-N 121.221 -0.925 . . . . 0.0 108.682 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.933 HD22 HE22 ' A' ' 35' ' ' GLN . 28.6 mt -49.06 -46.9 45.12 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.707 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.1 -42.59 46.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.933 -1.105 . . . . 0.0 109.98 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -51.19 -42.22 60.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -0.996 . . . . 0.0 109.891 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -73.34 -32.02 64.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 109.94 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 mt -77.79 -29.67 50.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.99 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.5 mp -51.76 -55.59 28.69 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.779 -1.201 . . . . 0.0 111.181 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.4 Cg_exo -52.17 -18.1 6.96 Favored 'Trans proline' 0 C--N 1.321 -0.875 0 CA-C-N 119.258 0.771 . . . . 0.0 110.364 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 58.25 0.7 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.413 -0.804 . . . . 0.0 110.072 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.12 161.15 29.24 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -70.14 -176.57 1.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -1.182 . . . . 0.0 109.031 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -74.55 -41.08 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.999 -1.063 . . . . 0.0 109.516 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.82 -37.41 62.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.74 -39.23 84.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 74' ' ' VAL . 54.6 mt-30 -65.32 -41.74 93.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.079 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -52.55 -30.69 32.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.404 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.32 -52.05 10.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 109.333 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.8 m-85 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 108.986 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 70' ' ' GLN . 29.1 t -60.68 -41.3 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 108.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -59.23 -47.61 84.69 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.671 -0.643 . . . . 0.0 110.788 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -65.46 -36.85 85.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.738 -1.226 . . . . 0.0 110.665 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.72 -44.1 93.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 109.697 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.23 70.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.41 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.75 -42.98 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.066 -1.021 . . . . 0.0 110.112 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.47 90.31 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.11 -30.25 60.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.187 -1.184 . . . . 0.0 109.638 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -63.21 -31.7 72.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.332 -0.855 . . . . 0.0 109.115 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 85' ' ' LYS . 56.5 mtp180 -76.5 -42.88 41.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.313 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 86' ' ' GLU . 64.3 mt -70.23 33.84 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' TYR . 46.2 tttp 63.65 -31.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.277 -0.89 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 84' ' ' LEU . 43.2 mt-10 -49.83 95.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.732 -1.23 . . . . 0.0 108.742 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.6 m-85 -83.82 -42.59 16.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.0 110.751 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.83 -42.4 63.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.895 . . . . 0.0 110.672 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -54.26 -48.97 70.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.891 -1.131 . . . . 0.0 108.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.63 69.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.283 -0.886 . . . . 0.0 109.004 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.5 tp -72.62 -21.43 61.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.485 -0.76 . . . . 0.0 109.305 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.51 -36.21 57.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.366 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -75.27 -40.9 58.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.65 -0.656 . . . . 0.0 109.754 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -34.67 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.319 -0.863 . . . . 0.0 110.584 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -71.57 -48.0 51.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.457 -1.402 . . . . 0.0 109.841 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.11 76.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.02 -37.56 77.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.652 -0.91 . . . . 0.0 109.075 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 73.9 mt -75.66 -28.91 58.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.73 -1.231 . . . . 0.0 109.917 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 3.2 tp60 -57.93 -28.62 64.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 60.7 p -87.95 -50.58 6.33 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.647 -0.658 . . . . 0.0 109.667 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -130.7 78.02 74.59 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.667 -0.645 . . . . 0.0 110.153 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.524 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 5.8 Cg_exo -62.7 -13.42 33.88 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 C-N-CA 121.212 1.275 . . . . 0.0 109.517 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -81.67 -3.25 53.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.799 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -76.85 97.0 4.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 109.587 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -65.83 -43.67 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.889 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -55.24 -28.13 51.16 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.311 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.18 -27.97 42.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.148 -0.97 . . . . 0.0 109.048 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 64.4 mttm -73.72 -50.42 20.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.852 . . . . 0.0 109.611 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.3 -37.46 72.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.14 -0.975 . . . . 0.0 109.26 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.96 -38.55 91.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.095 -1.003 . . . . 0.0 108.78 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.28 -32.61 74.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.855 . . . . 0.0 108.788 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -63.19 -47.02 84.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.496 -0.753 . . . . 0.0 109.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.54 -44.6 93.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 109.599 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.72 -45.7 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 109.618 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.2 -46.2 71.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.278 -0.889 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -70.26 -51.0 33.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 110.98 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.45 69.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.6 -1.313 . . . . 0.0 108.363 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.405 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 10.5 ttp -52.75 -30.23 31.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 110.207 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.27 -15.44 58.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.78 -1.2 . . . . 0.0 108.937 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 122' ' ' GLY . 1.6 ttmp? -78.2 -7.72 57.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.437 -0.789 . . . . 0.0 109.42 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 118' ' ' MET . 39.9 p-10 -71.34 16.04 0.11 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -140.75 66.97 0.49 Allowed Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.79 120.12 10.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.407 -1.055 . . . . 0.0 109.702 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.5 t -150.28 153.98 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.499 -0.75 . . . . 0.0 109.169 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 58.69 94.69 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 125' ' ' GLY . 18.4 mmt -49.08 -92.01 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -1.202 . . . . 0.0 109.212 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.18 133.09 42.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.204 -0.935 . . . . 0.0 109.08 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 129' ' ' VAL . 57.9 mt -138.19 166.59 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 0.0 108.705 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.533 ' N ' HG22 ' A' ' 128' ' ' ILE . 32.7 t -146.89 -17.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.253 -0.904 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.43 78.4 0.03 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -173.44 121.73 0.87 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 42.2 ttp -165.04 -39.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.24 -1.153 . . . . 0.0 109.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.72 23.43 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.23 1.014 . . . . 0.0 109.282 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.77 63.08 2.77 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -164.28 74.15 0.17 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.06 78.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -1.159 . . . . 0.0 109.313 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -155.37 25.36 0.41 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.618 ' H ' HD12 ' A' ' 139' ' ' LEU . . . -159.32 72.1 0.23 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.618 HD12 ' H ' ' A' ' 138' ' ' GLY . 5.0 mp -140.89 -52.51 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.266 -1.137 . . . . 0.0 109.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.26 -108.01 0.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 159.65 87.3 0.06 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.86 -43.32 16.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -1.123 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 144' ' ' GLY . 15.5 tt -171.91 -36.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.367 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 143' ' ' ILE . . . 143.29 173.47 14.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.3 -153.43 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.169 -1.195 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 148' ' ' HIS . 72.5 mm-40 -89.21 76.6 7.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.288 -0.882 . . . . 0.0 109.418 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 55.3 t-80 -75.89 26.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.424 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.468 ' H ' ' C ' ' A' ' 146' ' ' GLU . 81.0 t60 51.96 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 0.0 109.485 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.25 72.93 0.31 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 52.08 -166.4 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.263 -0.898 . . . . 0.0 109.444 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.83 128.22 34.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.488 ' N ' ' ND1' ' A' ' 152' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.501 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' ALA . 2.1 pp20? -163.84 137.74 5.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.426 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' GLU . . . 49.26 97.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 109.626 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.8 t -75.02 59.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -0.91 . . . . 0.0 109.622 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.36 -155.96 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.283 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -93.45 177.17 6.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.232 -0.918 . . . . 0.0 109.037 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' CD ' ' N ' ' A' ' 7' ' ' GLU . 1.3 pm0 -172.3 176.03 3.49 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.433 -0.792 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.65 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.8 p -63.75 130.94 46.27 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.268 -0.895 . . . . 0.0 109.181 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -47.58 -25.28 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.273 -0.892 . . . . 0.0 109.084 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.1 mp0 -70.99 -44.26 66.31 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.133 -0.979 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.55 -42.12 99.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.855 . . . . 0.0 110.714 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.23 -43.73 60.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.883 -1.136 . . . . 0.0 109.832 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 mt -78.34 -19.09 54.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.753 -1.217 . . . . 0.0 110.094 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.3 ttpt -68.74 -50.86 47.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.015 -1.053 . . . . 0.0 109.84 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.96 -26.59 54.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.969 -1.082 . . . . 0.0 109.497 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' OE2' ' CE1' ' A' ' 38' ' ' TYR . 5.8 tp10 -73.96 -33.88 64.05 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -54.36 -48.86 70.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 6.0 mtpp -58.34 -47.45 83.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.033 -1.042 . . . . 0.0 108.568 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -53.41 -32.44 49.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -73.19 -52.92 12.34 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.663 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.3 m -65.56 -47.43 75.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 110.033 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.01 -38.98 77.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.117 -0.989 . . . . 0.0 108.961 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -72.6 -37.19 68.2 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.158 -0.964 . . . . 0.0 108.749 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.93 72.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.63 12.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.0 17.0 53.18 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.5 m -153.86 121.33 5.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.514 -0.992 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.24 121.79 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.45 -0.781 . . . . 0.0 109.759 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -71.01 139.56 50.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.357 -0.839 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -56.17 -32.35 64.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.22 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -54.1 -49.1 69.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.555 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -65.39 -41.62 93.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.141 -0.974 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -58.1 -41.23 83.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.185 -0.947 . . . . 0.0 109.27 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 22.8 m-85 -68.06 -50.9 52.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.422 -0.799 . . . . 0.0 110.313 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.27 -14.71 61.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.123 -0.986 . . . . 0.0 110.453 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 20.3 t80 -77.01 -37.31 55.31 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.676 -1.265 . . . . 0.0 109.211 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.11 -37.37 69.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -47.74 75.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.884 -1.135 . . . . 0.0 108.095 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.8 m -54.71 -42.35 71.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.459 -0.775 . . . . 0.0 109.64 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -78.1 -41.31 35.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.193 -0.942 . . . . 0.0 110.766 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' ALA . 66.7 t -52.83 -20.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.952 -1.093 . . . . 0.0 109.816 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.567 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.4 OUTLIER -113.71 27.42 9.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 0.0 109.414 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -87.07 158.47 19.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.929 -1.107 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -73.97 -11.84 60.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -94.77 136.68 34.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' OD1' ' A' ' 49' ' ' ASP . 13.1 p-10 -70.63 -48.65 53.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 110.017 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -52.22 -27.51 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.037 -1.04 . . . . 0.0 110.267 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.9 -29.92 69.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.963 -1.085 . . . . 0.0 108.99 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -77.6 -39.17 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.2 mtt180 -54.11 -54.69 36.01 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -57.74 -45.28 86.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.52 -40.55 96.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -67.66 -38.87 81.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 120.984 -1.304 . . . . 0.0 108.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.7 t -66.88 -47.02 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 57' ' ' LEU . 34.2 mt -49.65 -49.07 48.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.899 -0.501 . . . . 0.0 110.09 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.88 -41.98 74.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.813 -1.18 . . . . 0.0 109.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CD ' ' HH ' ' A' ' 93' ' ' TYR . 14.3 mm-40 -51.33 -39.13 56.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.034 -1.041 . . . . 0.0 109.979 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.63 -29.03 62.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.992 . . . . 0.0 109.779 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.64 -31.67 57.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.266 -0.897 . . . . 0.0 110.932 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.1 mp -53.68 -54.82 41.88 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 120.752 -1.217 . . . . 0.0 111.565 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.6 Cg_endo -56.52 -27.75 70.53 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 CA-C-N 119.553 0.876 . . . . 0.0 110.343 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.2 -4.28 57.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.165 -0.959 . . . . 0.0 110.18 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.47 154.52 20.4 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 6.7 m -68.76 -167.4 0.1 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -1.196 . . . . 0.0 108.937 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -74.97 -41.18 60.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.888 -1.132 . . . . 0.0 109.342 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.54 -45.27 72.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.406 -0.809 . . . . 0.0 109.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 35.8 mt-10 -64.25 -30.09 71.16 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.142 -0.974 . . . . 0.0 109.529 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 66' ' ' SER . 32.6 mt-30 -66.77 -55.1 16.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.082 -1.011 . . . . 0.0 109.799 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -52.55 -26.63 13.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.984 -1.072 . . . . 0.0 109.613 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.98 -53.02 9.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.815 -1.178 . . . . 0.0 109.533 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 9.2 m-85 -61.99 -31.94 72.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.913 -1.117 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -59.36 -37.41 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.57 -46.13 89.83 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.824 -0.547 . . . . 0.0 110.119 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.45 -37.28 82.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.06 -45.08 96.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.0 109.612 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.9 68.84 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.08 -1.013 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.6 -38.93 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.12 -42.25 91.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -69.38 -28.04 65.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.191 -1.182 . . . . 0.0 109.653 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.34 -29.82 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 109.04 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.5 mmt180 -71.75 -44.21 64.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 0.0 109.659 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -72.17 27.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.149 -0.97 . . . . 0.0 109.914 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.6 mttp 56.42 2.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.96 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 60.5 mm-40 -75.9 93.69 3.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.104 -0.998 . . . . 0.0 109.129 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.15 -36.49 22.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.27 -0.894 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.29 -50.6 72.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 0.0 109.982 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.97 -44.09 73.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.118 -0.989 . . . . 0.0 109.826 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.91 71.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.6 mp -76.59 -19.48 57.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.556 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -73.31 -36.3 66.22 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HH ' ' CD ' ' A' ' 59' ' ' GLU . 47.5 m-85 -76.54 -39.5 52.7 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.736 -0.602 . . . . 0.0 109.95 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -31.34 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.209 -0.932 . . . . 0.0 110.675 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -70.87 -48.49 53.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.395 -1.441 . . . . 0.0 109.624 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.05 -29.51 75.56 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.94 -38.69 83.13 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.598 -0.943 . . . . 0.0 108.826 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 79.3 mt -75.47 -33.72 60.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.786 -1.196 . . . . 0.0 109.378 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -53.63 -26.01 20.28 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 45.8 p -92.97 -48.61 6.44 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -128.43 77.74 76.73 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.84 -0.537 . . . . 0.0 110.075 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.34 -24.56 64.58 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.265 1.31 . . . . 0.0 109.693 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.633 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 7.6 pm0 -77.25 5.94 7.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 0.0 109.474 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -78.97 101.37 7.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.464 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -72.0 -36.94 69.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -56.8 -44.35 81.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.383 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -62.06 -38.09 87.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.386 -0.821 . . . . 0.0 109.484 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.26 -39.39 82.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.65 -51.6 67.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.131 -0.981 . . . . 0.0 109.578 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.23 -42.55 63.69 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.105 -0.997 . . . . 0.0 109.217 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.4 -49.39 77.76 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.07 -42.8 81.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 109.157 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.59 HG21 ' CD1' ' A' ' 91' ' ' LEU . 35.4 mt -71.68 -45.22 67.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.344 -0.848 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -42.17 84.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -55.93 -48.72 75.19 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.145 -0.972 . . . . 0.0 109.405 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.19 77.09 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.8 mmm -49.32 -47.89 46.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.446 -0.783 . . . . 0.0 110.423 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -68.2 -26.9 65.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.568 -1.332 . . . . 0.0 109.198 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 122' ' ' GLY . 31.5 ttmt -74.33 -3.65 31.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.227 -0.921 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.05 8.8 0.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.208 -0.933 . . . . 0.0 109.554 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 84.07 17.8 64.31 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.62 120.31 23.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -1.167 . . . . 0.0 109.233 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.3 t -147.98 151.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.262 -0.899 . . . . 0.0 109.537 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 49.92 63.72 4.02 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' GLY . 47.5 mtt -59.54 -158.42 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -1.171 . . . . 0.0 108.892 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.39 129.12 27.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.96 -1.087 . . . . 0.0 109.029 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.6 mt -142.95 157.41 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.407 ' H ' ' H ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -154.48 -21.67 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 129' ' ' VAL . . . -54.6 -94.91 0.01 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 132' ' ' MET . . . 67.04 152.36 0.22 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 131' ' ' GLY . 11.4 tpt 59.29 153.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -1.072 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.13 145.31 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -78.68 -154.96 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 0.0 109.469 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.58 21.59 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 138' ' ' GLY . 39.7 t -79.35 -35.96 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.405 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 45.81 15.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.553 -0.717 . . . . 0.0 109.71 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 136' ' ' VAL . . . -69.07 72.68 0.4 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 141' ' ' GLY . 85.7 mt -136.58 -96.03 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.385 -1.068 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 44.68 15.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.364 -0.835 . . . . 0.0 110.363 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 139' ' ' LEU . . . 46.43 60.64 4.59 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.44 -160.43 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.193 -1.181 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 143' ' ' ILE . 0.0 OUTLIER -89.6 14.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.213 -0.93 . . . . 0.0 108.97 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.43 -4.14 6.26 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 146' ' ' GLU . 2.0 tp -102.55 115.07 29.83 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 148' ' ' HIS . 76.1 mt-10 -148.63 -23.88 0.32 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.885 . . . . 0.0 109.363 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 51.45 -89.62 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.567 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 146' ' ' GLU . 15.0 t-80 -162.97 -32.39 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 12.8 t-80 -166.73 -141.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.263 -0.898 . . . . 0.0 109.464 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.644 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 10.2 p80 -172.3 146.48 1.84 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.198 -0.938 . . . . 0.0 109.446 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 5.7 t60 -170.91 126.06 0.69 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.244 -0.91 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 63.9 m80 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.422 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.1 ttm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.278 0.561 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -170.1 96.26 0.27 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.0 109.442 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.61 162.28 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 109.499 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.5 138.57 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.216 -0.927 . . . . 0.0 109.514 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 6' ' ' ASN . 13.1 mt -81.99 -154.24 0.12 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.253 -0.905 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' GLU . 3.5 m120 61.47 126.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.449 -0.782 . . . . 0.0 109.958 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' ASN . 34.3 tt0 54.58 106.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -51.98 120.32 5.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 108.801 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' LEU . 9.4 t 58.54 119.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.571 -0.706 . . . . 0.0 110.163 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -62.16 138.96 58.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.194 -0.941 . . . . 0.0 108.833 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.19 -25.12 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.0 mp0 -70.3 -46.31 64.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.672 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.92 -37.27 86.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.957 . . . . 0.0 110.446 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -73.4 -44.68 57.97 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.844 -1.16 . . . . 0.0 109.402 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -78.18 -26.6 47.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.888 -1.133 . . . . 0.0 109.589 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.3 tmmm? -62.69 -44.38 96.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 109.021 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -78.17 -27.4 48.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.0 108.754 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -70.75 -37.91 73.45 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.36 -47.84 75.14 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -56.83 -46.7 81.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.096 -1.002 . . . . 0.0 108.813 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -53.5 -34.44 58.1 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.349 -0.844 . . . . 0.0 109.545 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -72.49 -53.64 11.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.135 -0.978 . . . . 0.0 109.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -57.73 -50.05 74.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.798 -1.189 . . . . 0.0 109.756 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.64 -49.52 77.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.178 -0.951 . . . . 0.0 109.009 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -64.97 -39.28 93.24 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.24 -0.913 . . . . 0.0 108.968 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.17 72.64 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.57 -15.0 15.48 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.57 16.92 51.2 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 m -153.68 123.88 6.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.46 -1.023 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.99 118.83 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.516 -0.74 . . . . 0.0 109.688 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -70.16 137.8 51.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.458 -0.776 . . . . 0.0 109.413 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -57.95 -17.75 19.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.325 -0.859 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 t -66.95 -49.08 66.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.364 -0.835 . . . . 0.0 109.89 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -71.76 -37.33 70.54 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.065 -1.022 . . . . 0.0 109.19 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.81 ' NE2' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -56.64 -48.25 77.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 108.904 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.4 m-85 -64.0 -50.27 69.18 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.571 -0.706 . . . . 0.0 110.209 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.34 -13.51 62.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 109.826 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 52.2 t80 -80.55 -34.76 35.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.106 -0.996 . . . . 0.0 109.714 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.48 69.99 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.795 -1.191 . . . . 0.0 108.509 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.659 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.66 -52.48 65.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 108.843 179.426 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 14' ' ' LEU . 13.7 p -53.92 -38.8 65.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.875 . . . . 0.0 109.946 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.3 mt -77.57 -41.58 38.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.131 -0.981 . . . . 0.0 110.239 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 39' ' ' ALA . 92.6 t -53.22 -19.29 2.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.039 -1.038 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.659 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 47.0 mtm180 -113.74 27.78 9.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.796 -0.565 . . . . 0.0 109.617 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -88.78 167.06 13.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.999 -1.063 . . . . 0.0 109.389 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -81.57 -10.85 59.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.309 -0.869 . . . . 0.0 109.406 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -97.03 138.21 34.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 18.4 p-10 -70.97 -48.6 52.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.872 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.44 -27.55 10.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.048 -1.033 . . . . 0.0 110.188 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.41 -29.68 70.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.076 -1.015 . . . . 0.0 108.638 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.78 -41.84 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 108.871 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 56' ' ' VAL . 62.1 ttt180 -54.74 -26.07 31.74 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' NZ ' HD11 ' A' ' 57' ' ' LEU . 11.7 ttpp -87.49 -45.88 10.1 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.859 . . . . 0.0 108.788 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.34 -31.1 72.81 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.64 -43.47 54.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.213 -1.169 . . . . 0.0 108.802 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -65.79 -46.54 88.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.81 HD22 ' NE2' ' A' ' 35' ' ' GLN . 30.5 mt -49.44 -45.77 46.94 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.727 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.52 -42.0 68.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.943 -1.098 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -53.7 -35.19 60.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.052 -1.03 . . . . 0.0 110.056 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -73.82 -35.31 64.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.997 . . . . 0.0 110.359 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.93 -29.32 55.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.144 -0.973 . . . . 0.0 110.938 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 mp -51.11 -55.81 25.18 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 120.816 -1.178 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.2 Cg_exo -53.03 -27.17 35.08 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 120.514 0.809 . . . . 0.0 110.319 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -99.14 29.87 3.7 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.171 -0.956 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.38 152.7 19.25 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 40.7 t -70.1 -171.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -1.149 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -74.25 -39.15 63.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.977 -1.077 . . . . 0.0 109.438 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -71.32 -45.98 61.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.312 -0.868 . . . . 0.0 108.79 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.46 -34.69 71.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.461 -0.775 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 66' ' ' SER . 37.6 mt-30 -66.36 -45.73 79.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.92 . . . . 0.0 109.382 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -52.92 -29.89 31.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.168 -0.958 . . . . 0.0 109.261 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.51 -52.75 8.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.94 -1.1 . . . . 0.0 109.567 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.3 m-85 -60.58 -32.74 71.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 108.768 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 24.6 t -60.62 -39.5 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.48 -45.92 87.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.768 -0.582 . . . . 0.0 110.327 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -67.72 -37.27 81.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.756 -1.215 . . . . 0.0 110.056 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.91 -44.98 96.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.127 -0.983 . . . . 0.0 109.594 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.24 69.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 109.256 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.68 -40.24 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.885 . . . . 0.0 109.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.93 -40.45 89.07 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -69.52 -27.22 64.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -1.125 . . . . 0.0 109.572 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.4 t80 -70.65 -30.11 66.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.295 -0.878 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 85' ' ' LYS . 46.9 mtp180 -72.69 -43.96 62.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.137 -0.977 . . . . 0.0 109.961 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.3 mt -71.42 30.33 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.0 mmtm 55.06 4.75 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 84' ' ' LEU . 18.4 tp10 -80.71 90.05 5.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 108.985 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -84.54 -36.56 22.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 0.0 110.054 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.22 -51.23 70.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 110.151 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -69.51 -39.56 77.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.076 -1.015 . . . . 0.0 109.73 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.5 89.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.999 -1.063 . . . . 0.0 109.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.3 mp -71.61 -19.66 62.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.255 -0.903 . . . . 0.0 109.09 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -75.1 -36.84 61.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.872 -1.143 . . . . 0.0 108.273 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -75.65 -40.03 56.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.716 . . . . 0.0 109.468 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.47 -31.75 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 0.0 110.942 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -72.26 -48.81 39.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.531 -1.356 . . . . 0.0 110.133 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.52 -28.97 73.62 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 12.5 tp -57.42 -44.01 84.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.637 -0.919 . . . . 0.0 108.696 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.55 -36.19 68.2 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.931 -1.106 . . . . 0.0 110.31 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -49.56 -30.65 8.92 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 74.2 p -77.59 -48.21 17.46 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.744 0.783 . . . . 0.0 108.91 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -134.63 78.48 55.84 Favored Pre-proline 0 N--CA 1.496 1.854 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -58.1 -13.96 17.49 Favored 'Trans proline' 0 C--N 1.318 -1.079 0 C-N-CA 121.203 1.269 . . . . 0.0 109.671 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -83.36 1.2 42.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 109.792 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -79.63 105.4 10.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.22 -37.71 63.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 0.0 109.888 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -56.92 -30.4 63.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.723 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.39 -29.58 47.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.01 -50.91 20.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.778 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.83 -32.44 67.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.317 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.03 -42.01 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.123 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.51 -29.27 70.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.81 -43.02 94.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.185 -0.947 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.33 -43.64 83.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.047 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.585 HG21 ' CD1' ' A' ' 91' ' ' LEU . 62.7 mt -71.41 -50.17 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.433 -0.792 . . . . 0.0 109.599 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.58 -46.17 73.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.91 -43.84 81.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.129 -0.982 . . . . 0.0 109.805 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 121' ' ' ASP . . . -57.46 -49.36 76.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.516 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.64 -47.11 20.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.473 -0.767 . . . . 0.0 110.389 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 3.5 mptp? -72.23 -56.77 4.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.549 -1.345 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 122' ' ' GLY . 43.2 mttm -67.76 7.68 0.48 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.138 -0.976 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 119' ' ' LYS . 29.4 t70 -64.59 2.41 0.66 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.212 -0.93 . . . . 0.0 109.456 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 127.43 -27.51 4.71 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.07 113.45 9.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.493 ' O ' ' SD ' ' A' ' 126' ' ' MET . 21.8 t -88.52 149.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.322 -0.861 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -72.39 96.67 0.73 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 124' ' ' VAL . 2.5 mpt? -60.33 162.41 6.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -1.127 . . . . 0.0 109.1 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.36 130.09 44.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.108 -0.995 . . . . 0.0 109.472 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.1 tt -150.51 16.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 122.766 1.27 . . . . 0.0 108.63 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.45 83.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.537 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 50.9 38.18 37.3 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.99 -147.75 0.07 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 132' ' ' MET . 4.5 mpp? -67.58 164.91 18.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -1.153 . . . . 0.0 109.459 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -169.9 124.69 0.78 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 109.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.34 131.47 42.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.463 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 137' ' ' ALA . . . -68.59 81.36 0.22 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.59 34.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -1.135 . . . . 0.0 109.344 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 135' ' ' GLY . . . -170.96 55.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.33 -0.856 . . . . 0.0 109.451 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -79.2 28.36 2.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -72.77 51.12 0.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -1.142 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.16 -21.01 64.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.224 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 67.23 65.89 2.58 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.1 mt -132.78 -79.27 0.49 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.504 -0.998 . . . . 0.0 109.124 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 143' ' ' ILE . 1.1 pp -149.87 22.35 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 109.051 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 146' ' ' GLU . . . 72.86 115.43 0.06 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 145' ' ' LEU . 7.1 mp -72.29 7.57 1.7 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.293 -1.122 . . . . 0.0 109.185 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 144' ' ' GLY . 12.5 pt-20 -172.07 0.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.42 -0.8 . . . . 0.0 109.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 148' ' ' HIS . 70.6 m80 52.56 -111.17 0.57 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.439 -0.788 . . . . 0.0 109.572 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 147' ' ' HIS . 1.3 t60 58.18 157.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -171.7 -81.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 109.492 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -168.96 110.49 0.5 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.232 -0.917 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.618 ' NE2' ' CD2' ' A' ' 152' ' ' HIS . 40.5 p-80 -64.07 -44.61 91.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.708 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.618 ' CD2' ' NE2' ' A' ' 151' ' ' HIS . 88.5 m-70 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.579 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -53.43 168.89 0.14 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 0.0 109.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.9 154.21 3.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.548 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t 48.46 81.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.883 . . . . 0.0 109.693 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.1 mp -82.92 63.97 7.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 109.22 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 49.51 26.93 1.86 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.411 -0.806 . . . . 0.0 109.64 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -166.39 50.83 0.08 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.156 -0.965 . . . . 0.0 109.609 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.8 mt 46.19 -115.15 0.54 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 0.0 109.873 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' H ' HG23 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -63.01 153.62 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 109.32 -179.676 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 133.41 35.45 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.365 -0.834 . . . . 0.0 109.221 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.41 -23.19 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.286 -0.884 . . . . 0.0 108.763 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 45.8 mt-10 -70.01 -37.73 75.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.228 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 7.0 t70 -76.74 -49.44 15.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.719 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.92 -47.21 81.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.877 -1.139 . . . . 0.0 110.186 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.64 -40.53 48.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.99 -1.069 . . . . 0.0 110.329 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 33.4 ttpt -50.86 -53.39 32.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.762 -1.211 . . . . 0.0 108.92 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -65.19 -28.45 69.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.063 -1.023 . . . . 0.0 108.65 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.67 -35.2 65.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 0.0 108.574 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -54.29 -41.05 68.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -65.36 -42.2 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.314 -0.866 . . . . 0.0 108.876 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -51.06 -44.4 61.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.463 -0.773 . . . . 0.0 109.404 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -72.8 -51.43 19.0 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.216 -0.927 . . . . 0.0 110.096 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -64.31 -38.32 90.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.776 -1.202 . . . . 0.0 109.787 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 48.7 mm-40 -61.48 -50.76 71.46 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.995 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -64.15 -34.35 77.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.96 -1.088 . . . . 0.0 108.582 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.08 78.98 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 -16.3 45.87 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.74 15.04 54.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 70.2 m -153.57 156.53 38.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.285 -1.127 . . . . 0.0 109.976 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -138.17 123.69 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.426 -0.797 . . . . 0.0 109.473 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -79.65 142.25 35.73 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.492 -0.755 . . . . 0.0 109.467 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -56.78 -19.24 16.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.186 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 96.3 p -66.23 -45.24 81.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 110.28 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -64.42 -49.43 71.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.959 -1.088 . . . . 0.0 110.162 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.587 ' OE1' HD21 ' A' ' 61' ' ' LEU . 84.6 mt-30 -55.59 -50.77 69.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.951 -1.093 . . . . 0.0 109.638 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.62 -49.04 78.93 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.396 -0.815 . . . . 0.0 110.765 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -70.64 -30.76 67.47 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.127 -0.983 . . . . 0.0 110.76 -178.554 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 42' ' ' LEU . 31.8 t80 -84.7 -22.63 29.69 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 109.995 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.13 16.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.095 -1.003 . . . . 0.0 110.206 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -59.22 -34.67 72.46 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.553 -1.342 . . . . 0.0 108.204 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -57.93 -40.31 80.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.211 -0.931 . . . . 0.0 110.819 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 38' ' ' TYR . 16.9 mt -72.27 -57.1 4.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.837 -1.164 . . . . 0.0 111.202 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.45 -16.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.087 -1.008 . . . . 0.0 110.558 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -93.07 25.68 3.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.815 -1.178 . . . . 0.0 109.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -119.05 163.15 17.41 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -85.44 -5.95 59.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.208 -0.932 . . . . 0.0 110.686 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 3.3 m-85 -80.78 110.53 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.782 -1.199 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.896 HD22 ' NH2' ' A' ' 52' ' ' ARG . 19.9 t-20 -49.34 -48.5 46.54 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.924 -1.11 . . . . 0.0 110.1 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 2.6 p30 -50.68 -31.9 17.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.044 . . . . 0.0 111.187 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 51' ' ' ILE . 1.9 p30 -73.92 -31.62 63.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.712 -1.243 . . . . 0.0 109.655 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 7.0 mt -76.2 -50.32 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.133 -0.979 . . . . 0.0 109.66 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.896 ' NH2' HD22 ' A' ' 48' ' ' ASN . 3.3 mtt-85 -53.56 -54.97 29.83 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -64.43 -35.09 79.78 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.87 -38.14 88.92 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.55 -38.57 81.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 120.826 -1.396 . . . . 0.0 109.128 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.1 t -60.24 -45.03 96.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.3 mt -50.34 -46.17 55.49 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.702 -0.624 . . . . 0.0 109.578 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.93 -47.08 63.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -53.79 -44.79 70.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.159 -0.963 . . . . 0.0 110.104 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -61.08 -31.56 71.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.152 -0.968 . . . . 0.0 110.032 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.587 HD21 ' OE1' ' A' ' 35' ' ' GLN . 96.0 mt -76.57 -28.91 56.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.928 . . . . 0.0 111.584 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.54 -54.48 38.85 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.785 -1.197 . . . . 0.0 111.359 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.8 Cg_exo -53.47 -21.03 17.25 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 120.412 0.741 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -114.73 12.07 16.99 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.362 -0.836 . . . . 0.0 110.56 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.54 149.59 19.43 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.413 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 5.2 m -68.47 -167.61 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.942 -1.328 . . . . 0.0 108.524 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.59 -47.0 28.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.642 -1.286 . . . . 0.0 109.075 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 20.1 mp0 -64.46 -35.92 82.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 109.358 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 66' ' ' SER . 50.3 mt-10 -66.79 -34.18 77.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -59.41 -45.58 91.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 108.948 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -61.6 -29.01 69.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.0 108.425 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.6 m-20 -78.79 -47.5 16.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.837 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.7 m-85 -53.02 -42.65 65.87 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -36.0 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 109.002 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -59.39 -50.21 74.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.45 -0.781 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.88 -39.56 79.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.772 -1.205 . . . . 0.0 109.963 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -59.37 -38.75 81.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.869 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.08 70.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.017 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' CG1' ' NH2' ' A' ' 83' ' ' ARG . 95.7 t -76.05 -45.2 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.277 -0.89 . . . . 0.0 109.782 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.81 -40.49 93.73 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.478 HD21 ' HB3' ' A' ' 89' ' ' LYS . 2.8 m120 -69.26 -28.6 66.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -1.128 . . . . 0.0 109.751 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -69.76 -30.18 67.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 83' ' ' ARG . 4.0 mtt-85 -71.93 -43.07 65.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.246 -0.909 . . . . 0.0 109.712 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 86' ' ' GLU . 61.3 mt -65.65 17.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.115 -0.991 . . . . 0.0 110.567 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 83' ' ' ARG . 18.6 tptt 68.46 -5.49 0.93 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.864 -1.148 . . . . 0.0 109.291 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 84' ' ' LEU . 14.5 mm-40 -75.28 95.04 3.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.227 -0.921 . . . . 0.0 109.664 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -85.31 -31.67 22.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.488 -0.758 . . . . 0.0 109.674 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.42 -41.84 93.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.18 -0.95 . . . . 0.0 109.953 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HB3' HD21 ' A' ' 81' ' ' ASN . 12.1 mptt -76.53 -47.29 23.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.91 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.27 69.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.109 -0.995 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -57.15 -54.6 44.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.771 -1.206 . . . . 0.0 108.138 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -45.07 -33.41 2.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.639 -0.663 . . . . 0.0 109.319 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -76.9 -47.3 21.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 108.833 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.58 -28.95 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 HH12 ' CG ' ' A' ' 111' ' ' GLU . 2.8 mpt_? -64.67 -47.39 78.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.59 -1.319 . . . . 0.0 108.756 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.96 -27.6 73.63 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 41.9 tp -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.293 -1.122 . . . . 0.0 108.874 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -76.7 -35.43 57.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.84 -1.162 . . . . 0.0 109.623 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.14 -27.91 16.04 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 30.0 p -88.96 -45.99 9.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.61 0.719 . . . . 0.0 109.149 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -132.71 77.34 69.35 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.933 -0.479 . . . . 0.0 109.973 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.18 -17.77 60.97 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.257 1.305 . . . . 0.0 109.545 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -81.53 -3.2 52.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.298 -0.876 . . . . 0.0 109.706 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -76.03 105.36 7.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.09 -1.006 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -73.45 -38.94 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.64 -34.68 67.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -69.41 -34.58 74.7 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 109.282 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.04 -36.44 77.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.225 -0.922 . . . . 0.0 109.078 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -53.95 52.34 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.916 0.865 . . . . 0.0 108.997 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 25.9 tp -51.11 -39.58 56.5 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 115' ' ' ASP . 6.4 tm-20 -63.86 -30.78 71.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.0 109.446 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -72.13 -43.63 64.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.186 -0.946 . . . . 0.0 109.61 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.66 -47.08 83.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 109.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.504 HG21 ' CD1' ' A' ' 91' ' ' LEU . 56.3 mt -68.94 -52.46 34.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.61 -0.681 . . . . 0.0 109.679 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -57.33 -45.22 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.0 109.822 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.85 -35.24 63.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.181 -0.949 . . . . 0.0 109.716 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.33 59.78 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtp -49.51 -48.57 47.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.635 -0.665 . . . . 0.0 110.829 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.5 mptm? -66.73 -30.03 70.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.453 -1.404 . . . . 0.0 109.396 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HB2' ' HZ2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -56.23 -60.01 4.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -81.79 59.6 4.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.613 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 124' ' ' VAL . . . -76.11 85.45 0.9 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.84 26.36 0.41 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -1.118 . . . . 0.0 109.231 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 122' ' ' GLY . 39.6 t -149.94 154.4 9.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.52 -22.75 17.45 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.8 mmt 46.45 -124.98 1.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.254 -1.145 . . . . 0.0 109.159 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.69 130.31 35.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 108.885 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.4 mt -100.11 145.82 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.401 -0.812 . . . . 0.0 109.353 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.9 t -147.12 90.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.352 -0.843 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 179.02 -69.83 0.07 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.15 -145.81 0.06 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.1 mtt 52.59 -157.73 0.14 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -1.119 . . . . 0.0 109.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -169.32 160.86 9.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.8 mt -132.63 79.49 1.85 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.439 -0.788 . . . . 0.0 109.218 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -69.98 86.64 0.3 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.3 t -67.9 65.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -1.138 . . . . 0.0 109.559 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -76.31 -76.54 0.16 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -0.922 . . . . 0.0 109.331 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -31.99 1.29 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.442 ' H ' ' C ' ' A' ' 137' ' ' ALA . 14.6 mt -78.91 -138.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -1.15 . . . . 0.0 109.438 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -89.48 -59.21 2.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.264 -0.898 . . . . 0.0 109.418 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 77.21 -94.67 1.14 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.4 mt 56.14 52.03 10.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -1.169 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.421 ' H ' ' H ' ' A' ' 144' ' ' GLY . 4.4 tp -165.12 -18.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.293 -0.879 . . . . 0.0 109.14 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 146' ' ' GLU . . . 64.38 168.52 1.58 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 13.9 mt -74.95 15.97 0.34 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -1.153 . . . . 0.0 109.53 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 148' ' ' HIS . 12.2 mm-40 52.11 27.03 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 149' ' ' HIS . 0.0 OUTLIER -73.18 13.45 0.42 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.25 -0.907 . . . . 0.0 109.434 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 0.9 OUTLIER -66.12 73.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 109.396 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 148' ' ' HIS . 78.9 m80 -157.4 -172.19 3.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -169.12 85.61 0.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.234 -0.917 . . . . 0.0 109.499 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 11.9 t-80 -169.24 109.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.531 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 97.0 m-70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.417 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -153.01 -16.0 0.15 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.28 -0.887 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.25 151.11 2.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.379 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 t -94.29 89.63 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.248 -0.907 . . . . 0.0 109.523 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -83.6 48.98 1.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.907 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -156.57 154.2 29.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.392 -0.817 . . . . 0.0 109.454 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' CD ' ' N ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -67.1 -177.09 0.6 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 0.0 109.612 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.31 -114.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 109.387 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t -70.71 124.61 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -0.971 . . . . 0.0 109.538 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -68.43 135.11 51.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.21 -0.932 . . . . 0.0 109.082 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.84 -23.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -0.891 . . . . 0.0 108.759 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 44.9 mt-10 -69.61 -44.93 69.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.372 -0.83 . . . . 0.0 109.088 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.08 -48.31 71.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 110.494 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.08 90.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.954 -1.091 . . . . 0.0 110.002 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.0 mt -76.71 -37.5 55.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.86 -1.15 . . . . 0.0 109.871 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.8 ttpt -52.52 -53.31 47.75 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.795 -1.191 . . . . 0.0 108.599 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.9 m-85 -65.53 -28.27 69.05 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.702 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -71.77 -36.19 70.28 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -55.25 -41.96 72.84 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.74 -42.19 67.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE2' ' CE ' ' A' ' 25' ' ' LYS . 38.7 t80 -52.41 -48.35 65.76 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.65 -49.93 35.34 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 p -58.97 -39.04 80.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.839 -1.163 . . . . 0.0 109.589 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' CD ' ' HG1' ' A' ' 34' ' ' THR . 38.5 mt-10 -58.81 -50.84 72.47 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 110.371 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' CE ' ' CE2' ' A' ' 21' ' ' PHE . 8.0 mttt -57.05 -37.53 71.92 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.593 -1.317 . . . . 0.0 108.567 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.53 79.32 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.94 56.48 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -156.83 153.53 28.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.29 -1.123 . . . . 0.0 110.027 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.21 125.37 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.479 -0.763 . . . . 0.0 109.295 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -80.44 141.78 34.93 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.438 -0.789 . . . . 0.0 109.544 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 61' ' ' LEU . 18.8 ttpp -57.11 -18.71 15.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.443 -0.786 . . . . 0.0 109.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 53.6 m -64.43 -48.09 76.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 0.0 110.212 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.509 ' HG1' ' CD ' ' A' ' 24' ' ' GLU . 6.7 m -64.29 -48.93 73.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 110.017 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -51.97 -49.77 62.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.131 . . . . 0.0 109.033 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -59.7 -48.99 79.49 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.47 -0.769 . . . . 0.0 110.666 -179.578 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.4 OUTLIER -70.93 -29.87 66.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.415 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 42' ' ' LEU . 49.6 t80 -83.46 -26.78 29.99 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.227 -0.921 . . . . 0.0 110.285 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.91 -51.51 18.29 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.927 -1.108 . . . . 0.0 110.331 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 13.7 p-90 -57.81 -33.99 69.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.389 -1.444 . . . . 0.0 108.001 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 88.1 m -57.38 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 109.676 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 38' ' ' TYR . 15.4 mt -79.76 -58.56 3.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.969 -1.082 . . . . 0.0 111.942 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 2.8 m -54.56 -17.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.682 -1.261 . . . . 0.0 109.681 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -93.27 16.04 14.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.947 -1.096 . . . . 0.0 109.128 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' NH2' ' A' ' 83' ' ' ARG . 6.7 p -101.24 167.91 9.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 109.56 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -90.95 -3.87 56.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.645 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.57 136.11 33.92 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.121 -0.987 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' OD1' HD21 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.72 -50.38 36.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.037 -179.475 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -51.25 -27.73 9.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.059 -1.025 . . . . 0.0 110.387 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.89 -29.95 62.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.078 . . . . 0.0 109.574 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mt -78.02 -48.84 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.91 -1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 56' ' ' VAL . 94.0 mtt180 -54.17 -55.49 27.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.13 -36.82 82.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -36.62 93.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.49 -40.79 80.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.963 -1.316 . . . . 0.0 109.105 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -57.83 -45.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -49.74 -50.04 45.78 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.837 -0.539 . . . . 0.0 109.707 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.19 -45.8 72.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 109.778 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.7 -48.9 74.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 109.968 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -54.94 -32.13 61.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.0 110.158 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' A' ' 32' ' ' LYS . 96.0 mt -76.91 -27.93 55.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.181 -0.949 . . . . 0.0 111.633 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.83 -54.1 43.92 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.75 -1.219 . . . . 0.0 111.467 -177.588 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -56.5 -25.57 59.01 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.458 0.772 . . . . 0.0 110.217 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -103.45 1.05 31.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.189 -0.944 . . . . 0.0 110.501 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.79 151.01 20.97 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t -67.39 -168.14 0.08 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -1.23 . . . . 0.0 108.567 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.09 -47.12 25.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.678 -1.264 . . . . 0.0 109.179 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.12 -49.85 76.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.201 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -57.63 -30.37 65.31 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -55.58 -44.45 76.9 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.09 -29.86 70.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.508 -0.745 . . . . 0.0 109.369 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -74.64 -48.28 27.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 36.8 m-85 -53.03 -38.74 62.66 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.96 -36.01 71.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.489 -0.757 . . . . 0.0 108.984 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -61.84 -50.76 70.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.586 -0.696 . . . . 0.0 110.453 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -68.33 -37.75 80.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.815 -1.178 . . . . 0.0 110.096 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.13 -45.56 92.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.08 -1.012 . . . . 0.0 110.251 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.47 71.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.958 -1.089 . . . . 0.0 109.202 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.35 -39.24 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.236 -0.915 . . . . 0.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.95 -43.55 57.63 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.57 -30.22 61.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.012 -1.287 . . . . 0.0 109.521 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.3 -45.87 90.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 109.404 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 12.3 ptm180 -75.07 -37.14 61.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.048 -1.032 . . . . 0.0 110.247 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -64.4 35.66 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -178.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 73.8 tttt 65.56 -41.13 0.32 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 110.133 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' LEU . 7.6 mm-40 -53.01 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.99 -1.069 . . . . 0.0 108.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.9 m-85 -84.98 -40.94 16.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.732 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -70.57 -41.27 72.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -0.911 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 37.4 mttp -54.35 -48.98 70.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.825 -1.172 . . . . 0.0 109.271 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.34 66.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.136 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.9 tp -70.34 -24.64 63.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.459 -0.775 . . . . 0.0 109.213 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.98 -34.01 44.56 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.21 -48.43 29.03 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.677 -0.639 . . . . 0.0 109.408 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.04 -29.75 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.388 -0.82 . . . . 0.0 109.843 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 15.7 mmm180 -70.82 -48.11 55.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.964 -1.085 . . . . 0.0 109.934 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.99 -28.06 73.36 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.8 tp -59.63 -39.35 84.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.718 -0.872 . . . . 0.0 108.792 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' ALA . 80.3 mt -77.0 -37.6 54.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.92 -1.113 . . . . 0.0 109.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.31 -26.24 7.18 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.0 p -89.49 -43.94 10.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 103' ' ' GLN . 58.9 mm-40 -130.67 76.19 77.7 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 122.037 -0.414 . . . . 0.0 110.38 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.64 42.67 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.473 1.449 . . . . 0.0 109.484 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 101' ' ' GLU . 36.7 mt-30 -141.4 -7.45 1.01 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.288 -0.882 . . . . 0.0 109.721 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -75.36 99.66 4.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.86 -40.82 96.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.885 . . . . 0.0 109.811 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -56.68 -28.95 61.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.689 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.36 -32.01 48.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.16 -50.38 22.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.317 -0.864 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.73 -30.11 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.18 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.12 -43.49 98.25 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.21 -0.931 . . . . 0.0 108.76 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -53.06 -43.25 66.54 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.112 -0.992 . . . . 0.0 108.729 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.11 -51.8 63.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.56 -52.83 63.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.335 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.5 mt -57.95 -49.8 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 0.0 110.009 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.37 -39.4 78.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 110.642 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.4 -43.13 91.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.993 -1.067 . . . . 0.0 110.795 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.27 70.15 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.623 -1.298 . . . . 0.0 108.736 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.1 mtm -49.21 -46.81 46.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 110.162 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.34 -15.53 61.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.619 -1.301 . . . . 0.0 109.117 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -99.41 25.79 6.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.402 -0.811 . . . . 0.0 109.364 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.404 ' H ' ' H ' ' A' ' 122' ' ' GLY . 7.6 p30 -171.64 6.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.988 . . . . 0.0 109.574 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' A' ' 121' ' ' ASP . . . -86.08 99.63 2.42 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.23 110.97 6.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -1.167 . . . . 0.0 109.504 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 125' ' ' GLY . 27.4 t -101.93 160.36 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.551 -0.718 . . . . 0.0 109.113 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.447 ' N ' HG12 ' A' ' 124' ' ' VAL . . . -68.85 108.13 2.35 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 125' ' ' GLY . 49.3 mtt -55.66 -168.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -1.119 . . . . 0.0 109.247 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 129.32 18.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 109.441 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 128' ' ' ILE . 3.4 mm -147.83 9.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 122.982 1.372 . . . . 0.0 107.879 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' H ' ' A' ' 133' ' ' ALA . 4.7 m -84.09 58.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.562 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 56.01 42.32 86.7 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.97 70.8 1.1 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 133' ' ' ALA . 27.2 ttt 51.55 83.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -1.149 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.49 ' H ' ' CG2' ' A' ' 129' ' ' VAL . . . 58.4 158.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.353 -0.842 . . . . 0.0 109.655 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 134' ' ' LEU . 0.8 OUTLIER -60.28 150.88 29.01 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.257 -0.902 . . . . 0.0 109.445 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.46 144.99 28.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.26 -19.77 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -1.14 . . . . 0.0 109.365 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.2 21.38 0.18 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.857 . . . . 0.0 109.609 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.22 -47.28 1.96 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' ALA . 14.3 mt -70.98 -133.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.288 -1.124 . . . . 0.0 109.402 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' LEU . . . 40.15 -133.25 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.583 -0.698 . . . . 0.0 110.579 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.38 35.61 32.82 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.66 -144.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 14.5 pt -54.52 -28.85 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.919 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 92.94 -32.47 5.61 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.3 mp -84.97 99.55 11.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -1.132 . . . . 0.0 109.184 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 147' ' ' HIS . 36.4 tt0 51.69 88.36 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.286 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 146' ' ' GLU . 41.5 m170 -55.58 -104.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.898 . . . . 0.0 109.562 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -76.09 -168.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.515 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -168.71 -30.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.0 109.479 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.503 ' N ' ' ND1' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -170.61 -18.52 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.408 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 151' ' ' HIS . 1.8 t60 -66.68 0.98 1.98 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.263 -0.898 . . . . 0.0 109.448 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 150' ' ' HIS . 26.8 t-80 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.97 -1.015 . . . . 0.0 109.455 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 ptm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 54.4 75.63 0.28 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.547 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.42 -160.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.531 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.8 108.37 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.385 -0.822 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.2 mp -82.4 -165.12 0.95 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.409 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -143.33 136.69 28.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 109.328 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -65.55 157.73 28.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.513 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -74.84 -35.57 62.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.555 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -149.88 133.57 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.397 -0.815 . . . . 0.0 109.507 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -72.29 133.88 45.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.199 -0.938 . . . . 0.0 108.909 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -48.46 -24.22 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.131 -0.981 . . . . 0.0 109.009 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.6 mm-40 -69.91 -45.25 67.96 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.308 -0.87 . . . . 0.0 109.739 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.89 97.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 0.0 111.053 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.09 -41.39 61.75 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.764 -1.21 . . . . 0.0 110.136 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.05 -38.6 44.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.657 -1.277 . . . . 0.0 109.585 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tmmm? -52.45 -46.71 66.58 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 108.929 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.54 -26.99 58.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.559 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -54.59 -46.33 73.76 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 26.7 mttp -60.23 -48.36 82.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.44 -39.68 64.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -51.32 19.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.186 -0.946 . . . . 0.0 110.388 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 12.1 m -63.23 -42.27 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.685 -1.26 . . . . 0.0 110.154 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -57.04 -48.1 79.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.175 -0.953 . . . . 0.0 109.863 -179.093 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.27 -34.57 77.96 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.841 -1.162 . . . . 0.0 108.895 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.94 -44.69 78.64 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -14.92 24.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.39 16.39 55.46 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 60.0 m -154.63 157.62 38.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -1.107 . . . . 0.0 109.867 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.23 123.86 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 109.652 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -75.26 152.08 38.31 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.614 0.721 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -63.9 -18.29 64.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.593 -0.692 . . . . 0.0 109.784 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -68.55 -48.59 63.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 110.112 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -64.27 -43.61 94.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.172 -0.955 . . . . 0.0 109.926 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.05 -39.67 82.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.091 -1.006 . . . . 0.0 110.179 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 1.7 m-85 -69.43 -50.9 41.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.086 -1.009 . . . . 0.0 110.647 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -72.26 -16.29 61.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.892 -1.13 . . . . 0.0 110.045 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.465 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 57.1 t80 -79.66 -32.23 41.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.182 -0.949 . . . . 0.0 108.984 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.29 -37.3 69.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.263 -0.898 . . . . 0.0 108.837 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.95 -52.55 63.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 108.247 179.52 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.7 -39.37 65.11 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.442 -0.786 . . . . 0.0 109.99 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 18.1 mt -78.45 -41.04 33.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.094 -1.004 . . . . 0.0 110.526 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 39' ' ' ALA . 90.2 t -52.93 -20.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.078 -1.013 . . . . 0.0 109.44 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -120.49 33.28 5.65 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t -87.74 174.01 8.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.084 -1.01 . . . . 0.0 109.488 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' N ' ' OG ' ' A' ' 45' ' ' SER . 46.1 mtpt -85.71 -10.98 54.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.352 -0.843 . . . . 0.0 109.44 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.2 140.54 34.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.878 . . . . 0.0 109.425 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.514 HD22 HD22 ' A' ' 84' ' ' LEU . 28.1 t-20 -71.33 -49.0 46.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.224 -0.922 . . . . 0.0 109.795 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.41 -26.23 7.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.049 -1.032 . . . . 0.0 110.221 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.6 -31.34 71.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 0.0 108.896 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -79.05 -44.64 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.005 -1.059 . . . . 0.0 108.945 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.3 mtt180 -54.48 -31.09 55.09 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -82.02 -44.3 16.83 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.73 94.89 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -41.98 90.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 O-C-N 120.957 -1.319 . . . . 0.0 109.105 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 52' ' ' ARG . 79.6 t -62.93 -47.81 91.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' LEU . 32.7 mt -49.53 -45.24 47.12 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.873 -0.517 . . . . 0.0 109.707 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.23 -45.77 54.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.958 -1.089 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -51.94 -43.51 63.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.146 -0.971 . . . . 0.0 110.213 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.152 -0.968 . . . . 0.0 110.51 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.7 -29.45 56.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.002 -1.062 . . . . 0.0 111.324 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -50.78 -55.15 29.37 Favored Pre-proline 0 N--CA 1.486 1.359 0 O-C-N 120.664 -1.273 . . . . 0.0 111.077 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -54.51 -26.56 45.74 Favored 'Trans proline' 0 C--N 1.322 -0.853 0 N-CA-C 110.004 -0.806 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -97.37 37.19 1.37 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.252 -0.905 . . . . 0.0 109.576 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.88 26.06 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -75.95 -170.27 1.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.17 -39.47 63.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 2.2 tm-20 -72.59 -46.5 53.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.588 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -56.3 -29.81 61.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -73.6 -38.2 65.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.3 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 71' ' ' ARG . 3.0 mtt-85 -52.47 -37.44 57.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.181 -0.949 . . . . 0.0 109.796 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD2' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -76.15 -51.63 11.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.991 -1.068 . . . . 0.0 109.863 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.521 ' CE1' ' OD2' ' A' ' 72' ' ' ASP . 2.7 m-85 -55.95 -39.0 71.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.886 -1.134 . . . . 0.0 109.399 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.43 -36.43 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 108.732 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -58.5 -45.53 88.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.613 -0.68 . . . . 0.0 110.227 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -71.04 -35.98 72.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.857 -1.152 . . . . 0.0 110.106 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.28 -44.95 94.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.614 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.84 -34.08 75.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.083 -1.011 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.73 -37.87 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.46 -43.41 53.66 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.03 -28.51 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.23 -1.159 . . . . 0.0 109.471 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.8 t80 -70.44 -30.37 67.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.009 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -69.58 -41.45 75.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.543 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 48' ' ' ASN . 65.4 mt -71.51 33.66 0.05 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 83' ' ' ARG . 50.9 mtpt 51.62 8.16 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.866 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' LEU . 11.3 tp10 -84.94 96.09 9.25 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.12 -0.988 . . . . 0.0 109.092 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -85.77 -36.22 20.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.27 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.1 mp0 -64.25 -38.92 92.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 110.14 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.64 -49.1 17.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.294 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.38 69.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.539 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.4 mp -54.89 -52.81 61.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 108.777 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -44.85 -35.83 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 109.467 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.93 -48.44 21.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 109.08 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -30.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -0.853 . . . . 0.0 109.788 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.465 ' NH1' ' CD ' ' A' ' 111' ' ' GLU . 3.1 mpt_? -60.72 -48.08 83.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.496 -1.378 . . . . 0.0 108.577 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.88 -28.92 73.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.499 ' O ' ' OG1' ' A' ' 100' ' ' THR . 63.8 tp -63.02 -35.72 81.15 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.168 -1.195 . . . . 0.0 109.084 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.74 -28.04 55.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.856 -1.153 . . . . 0.0 109.769 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -27.98 65.73 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 62.0 p -87.16 -51.18 6.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.622 -0.674 . . . . 0.0 109.672 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -132.11 77.85 70.35 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.77 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -63.48 -20.49 69.89 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.396 1.397 . . . . 0.0 110.443 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -85.23 2.93 41.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.043 -1.036 . . . . 0.0 109.714 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -73.58 111.89 9.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.139 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -70.79 -39.67 72.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.802 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -56.23 -49.04 75.26 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.172 -0.955 . . . . 0.0 109.443 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.18 82.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 0.0 109.348 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -58.4 -39.73 80.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.247 -0.908 . . . . 0.0 108.999 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.41 -51.61 69.16 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.349 -0.844 . . . . 0.0 109.199 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.72 -42.99 62.68 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.497 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' NH1' ' A' ' 95' ' ' ARG . 34.9 tt0 -61.35 -37.23 82.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -60.72 -47.26 87.09 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.314 -0.866 . . . . 0.0 109.726 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -57.64 -43.83 85.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.539 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.1 mt -70.99 -52.0 31.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.368 -0.832 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.88 -45.49 74.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.358 -0.839 . . . . 0.0 109.657 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -55.55 -51.9 65.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.085 -1.009 . . . . 0.0 109.409 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.98 78.1 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 69.2 mtp -50.31 -47.52 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.686 . . . . 0.0 110.764 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.91 -23.26 52.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.588 -1.32 . . . . 0.0 109.721 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -70.23 -76.22 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 121' ' ' ASP . 0.5 OUTLIER -85.54 43.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.233 -0.917 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -145.88 86.55 0.17 Allowed Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.78 130.14 34.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 109.39 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 125' ' ' GLY . 43.5 t -147.93 159.2 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.422 -0.799 . . . . 0.0 109.258 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 124' ' ' VAL . . . 90.91 52.99 2.31 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.8 mmt -60.0 -100.82 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.128 -1.219 . . . . 0.0 108.738 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.62 133.92 42.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.192 -0.942 . . . . 0.0 108.705 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 129' ' ' VAL . 93.9 mt -129.93 160.37 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.492 -0.755 . . . . 0.0 109.208 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.491 ' N ' HG22 ' A' ' 128' ' ' ILE . 43.0 t -147.94 -40.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.228 -0.92 . . . . 0.0 109.38 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.73 -67.52 1.99 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.77 164.79 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.0 mpt? -72.48 132.23 43.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -1.157 . . . . 0.0 109.414 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.28 23.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.192 0.996 . . . . 0.0 109.378 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.457 ' H ' ' C ' ' A' ' 132' ' ' MET . 24.4 mt -100.41 132.91 45.53 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.265 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 137' ' ' ALA . . . 176.73 160.92 24.66 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.12 18.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -1.158 . . . . 0.0 109.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 135' ' ' GLY . . . -170.45 173.53 5.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.516 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 85.66 -64.6 4.09 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.1 mm? 43.95 -89.78 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.548 -0.972 . . . . 0.0 109.989 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 138' ' ' GLY . . . -130.46 -148.92 0.38 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.55 -0.719 . . . . 0.0 109.267 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 143' ' ' ILE . . . -165.19 50.09 0.28 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 142' ' ' LEU . 3.4 mm? -78.02 17.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -1.177 . . . . 0.0 109.092 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 145' ' ' LEU . 10.9 tp -169.98 -10.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.262 -0.899 . . . . 0.0 109.074 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -67.06 49.38 0.24 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 143' ' ' ILE . 18.9 mt -82.65 104.21 12.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -1.175 . . . . 0.0 109.191 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 65.8 mm-40 -47.51 -75.84 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.733 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.526 ' O ' ' ND1' ' A' ' 148' ' ' HIS . 75.5 m-70 -159.18 139.46 12.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.461 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 147' ' ' HIS . 43.3 m80 -149.9 -29.81 0.23 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.218 -0.926 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.76 74.5 0.18 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.621 ' CG ' ' H ' ' A' ' 151' ' ' HIS . 11.2 p-80 -56.34 -69.42 0.15 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.0 109.486 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.621 ' H ' ' CG ' ' A' ' 150' ' ' HIS . 5.6 t60 -170.22 31.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.226 -0.921 . . . . 0.0 109.474 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.507 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.529 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -152.95 148.91 27.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.237 -0.914 . . . . 0.0 109.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.9 -178.89 0.35 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.242 -0.911 . . . . 0.0 109.468 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 4' ' ' VAL . 11.6 p -169.25 39.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.922 . . . . 0.0 109.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt 50.2 -162.17 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.132 -0.98 . . . . 0.0 109.452 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 7' ' ' GLU . 72.0 m-80 -157.53 122.31 4.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.641 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 6' ' ' ASN . 47.4 tt0 58.67 127.75 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.56 0.695 . . . . 0.0 110.394 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 9' ' ' VAL . 1.6 mp -53.08 108.84 0.36 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.16 -0.963 . . . . 0.0 108.888 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' LEU . 4.7 t 58.77 119.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.482 -0.761 . . . . 0.0 110.354 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -69.04 138.55 54.53 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.261 -0.9 . . . . 0.0 108.689 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.76 -24.1 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.294 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -70.58 -47.16 61.61 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.088 -1.007 . . . . 0.0 109.092 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.97 -37.63 86.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.279 -0.888 . . . . 0.0 110.333 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -50.08 57.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.53 -27.51 61.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 109.385 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -51.85 -54.11 32.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 108.99 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.45 -25.66 64.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.137 -0.977 . . . . 0.0 108.753 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 18' ' ' GLU . 1.2 tm-20 -71.14 -35.43 71.69 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -55.28 -45.19 76.17 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.05 78.49 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.415 -0.803 . . . . 0.0 109.03 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -53.09 -35.35 59.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.389 -0.819 . . . . 0.0 109.561 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -72.5 -50.73 23.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.611 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -56.22 -49.12 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 110.214 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 29' ' ' SER . 33.3 mt-10 -61.0 -50.19 74.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.871 -1.143 . . . . 0.0 108.405 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -58.56 -44.06 89.56 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.16 66.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 -13.11 62.12 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.54 13.81 54.63 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p -149.38 134.77 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -1.044 . . . . 0.0 109.007 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -117.49 122.72 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.552 -0.718 . . . . 0.0 109.433 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 34' ' ' THR . 6.9 t -65.75 157.47 30.16 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.408 -0.807 . . . . 0.0 110.538 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 6.4 ttpm? -72.11 -25.06 61.59 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 t -74.49 -32.66 62.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.647 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 31' ' ' SER . 1.5 p -64.06 -50.7 67.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 108.805 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.32 -49.2 78.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 108.713 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.28 -53.9 52.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.519 -0.738 . . . . 0.0 111.35 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -75.17 -16.44 60.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.966 -1.084 . . . . 0.0 110.656 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 40.1 t80 -77.43 -35.13 54.32 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.794 -1.191 . . . . 0.0 109.214 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.8 -38.2 67.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.123 -0.986 . . . . 0.0 109.261 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.39 -47.32 76.05 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.58 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 m -55.47 -40.58 71.8 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.802 -0.562 . . . . 0.0 109.848 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 17.9 mt -77.59 -40.63 41.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.149 -0.969 . . . . 0.0 110.737 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 39' ' ' ALA . 47.7 t -53.92 -27.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 O-C-N 120.781 -1.199 . . . . 0.0 109.852 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -96.48 19.81 11.59 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.34 -0.85 . . . . 0.0 109.218 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -85.34 147.67 26.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.261 -0.899 . . . . 0.0 109.561 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -74.95 -4.58 38.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.81 135.82 39.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.4 -0.812 . . . . 0.0 109.319 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -70.72 -41.71 71.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.351 -0.843 . . . . 0.0 110.398 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.02 -32.22 61.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.909 -1.119 . . . . 0.0 110.358 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.55 -31.61 62.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.052 . . . . 0.0 109.121 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -77.51 -48.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.018 -1.051 . . . . 0.0 108.379 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.09 -43.89 64.13 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -70.56 -41.75 72.03 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.22 72.42 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.8 -50.65 47.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.187 -1.184 . . . . 0.0 109.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.19 -47.81 55.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 44.0 mt -50.32 -50.07 51.93 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.718 -0.613 . . . . 0.0 109.484 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.78 -46.51 78.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.958 -1.089 . . . . 0.0 109.408 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -52.51 -39.42 61.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.952 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.36 -33.54 75.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.978 . . . . 0.0 109.743 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -77.48 -28.06 52.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 mt -50.66 -54.6 34.2 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.903 -1.123 . . . . 0.0 111.516 -177.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.3 Cg_exo -54.94 -16.5 11.99 Favored 'Trans proline' 0 C--N 1.318 -1.078 0 C-N-CA 120.542 0.828 . . . . 0.0 110.457 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.87 -14.68 15.14 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.203 -0.936 . . . . 0.0 110.448 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.06 161.67 41.83 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -97.74 -178.06 3.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.094 -1.239 . . . . 0.0 108.986 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -53.17 -45.17 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.943 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.24 -50.08 75.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.056 . . . . 0.0 109.53 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 17.7 mp0 -65.33 -37.28 86.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.205 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 74' ' ' VAL . 64.4 mt-30 -53.46 -51.44 62.69 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -50.67 -35.31 30.2 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.269 -0.894 . . . . 0.0 108.972 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.61 -47.15 27.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.676 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 m-85 -58.75 -46.15 88.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.085 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 70' ' ' GLN . 62.0 t -57.98 -32.39 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.15 -49.69 66.55 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -73.12 -37.87 66.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 110.504 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.536 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 39.6 mt -61.39 -27.54 68.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.932 -1.105 . . . . 0.0 109.797 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.04 50.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.137 -0.977 . . . . 0.0 109.54 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.43 -41.52 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.544 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.28 -43.72 92.29 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 69.0 m-20 -69.19 -36.42 77.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -1.233 . . . . 0.0 109.824 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -59.21 -30.46 68.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.103 -0.998 . . . . 0.0 109.223 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 85' ' ' LYS . 53.0 mtp180 -73.6 -41.93 62.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 109.826 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' C ' ' H ' ' A' ' 86' ' ' GLU . 42.9 mt -73.11 29.24 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.077 -1.015 . . . . 0.0 109.871 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' ARG . 7.2 mtmp? 57.64 5.5 0.33 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.866 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.94 88.67 4.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.126 -0.984 . . . . 0.0 109.091 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -84.4 -38.84 19.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.394 -0.816 . . . . 0.0 109.389 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 18.7 mp0 -61.25 -47.99 83.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.0 109.93 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.1 -46.11 30.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.125 -0.985 . . . . 0.0 110.151 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.68 68.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 110.077 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 114' ' ' ILE . 3.7 mp -57.52 -56.62 19.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 108.75 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' LEU . 62.0 mttp -41.46 -36.74 0.92 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.496 -177.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 54.4 m-85 -74.4 -50.02 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.705 -1.247 . . . . 0.0 108.885 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -42.09 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.864 -1.147 . . . . 0.0 108.548 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -53.71 -26.41 22.86 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.628 -1.295 . . . . 0.0 107.59 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.51 -32.1 62.38 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' O ' ' OG1' ' A' ' 100' ' ' THR . 3.5 mm? -60.49 -39.54 88.05 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.869 -1.371 . . . . 0.0 108.909 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 100' ' ' THR . 9.4 mt -76.56 -50.46 13.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 110.52 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -14.54 2.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.681 -1.262 . . . . 0.0 107.787 179.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 7.3 p -101.87 -46.85 4.78 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 103' ' ' GLN . 44.9 mt-10 -136.4 79.6 41.76 Favored Pre-proline 0 N--CA 1.497 1.917 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.76 43.44 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.542 1.494 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 101' ' ' GLU . 67.7 mt-30 -151.51 -4.34 0.28 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.215 -0.928 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 104' ' ' ASN . 1.3 p30 -79.03 106.61 11.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.868 -1.145 . . . . 0.0 109.361 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 10.2 p-10 -63.4 -36.71 84.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 0.0 110.05 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -56.84 -38.23 72.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.108 -0.995 . . . . 0.0 109.738 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.12 -35.62 48.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.093 -1.004 . . . . 0.0 109.353 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.26 -50.3 28.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 0.0 109.629 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.62 -32.94 69.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.81 -40.61 92.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.893 . . . . 0.0 108.939 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.55 -32.54 73.52 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.237 -0.914 . . . . 0.0 109.178 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -61.67 -41.34 97.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.295 -0.878 . . . . 0.0 109.238 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.19 -43.75 98.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.127 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.6 HG21 ' CD1' ' A' ' 91' ' ' LEU . 65.0 mt -70.72 -43.54 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.445 -0.784 . . . . 0.0 109.779 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.3 -50.4 67.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.305 -0.872 . . . . 0.0 109.846 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -56.63 -53.08 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.015 -1.053 . . . . 0.0 109.863 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.96 -49.28 78.45 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.422 ' O ' ' OD2' ' A' ' 121' ' ' ASP . 4.8 ttt -47.84 -49.7 28.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.658 -0.651 . . . . 0.0 110.36 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -80.59 -0.14 36.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.621 -1.299 . . . . 0.0 109.5 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 122' ' ' GLY . 15.7 ttmm -87.97 -8.57 55.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 118' ' ' MET . 4.3 p30 -61.74 0.21 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 0.0 109.479 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 51.35 32.32 29.64 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.8 mt -51.03 125.24 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.947 -1.325 . . . . 0.0 108.715 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.57 134.65 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 110.151 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 95.06 -3.79 67.22 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 8.6 tpt 57.85 -127.06 1.64 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.144 -1.21 . . . . 0.0 109.043 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.8 130.45 45.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.12 -0.988 . . . . 0.0 109.072 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' VAL . 19.4 mm -138.14 167.18 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.537 ' N ' HG22 ' A' ' 128' ' ' ILE . 16.3 t -146.05 -9.46 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.142 -0.974 . . . . 0.0 109.404 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.91 70.18 1.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.38 128.4 1.03 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.579 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.0 mpt? -62.82 159.95 15.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -1.158 . . . . 0.0 109.423 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -167.89 133.93 2.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.903 . . . . 0.0 109.441 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.65 80.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.914 . . . . 0.0 109.286 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.46 -177.75 20.43 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -153.42 30.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.348 -1.09 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -169.44 -41.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.309 -0.869 . . . . 0.0 109.479 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 140' ' ' ALA . . . -84.04 76.53 2.22 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 139' ' ' LEU . 7.6 mp -77.52 31.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 138' ' ' GLY . . . -64.28 -168.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.278 -0.888 . . . . 0.0 109.359 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 175.3 59.32 0.06 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 142' ' ' LEU . 6.0 mp -73.72 -84.91 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.318 -1.107 . . . . 0.0 109.265 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 20.7 pt -68.23 6.85 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.243 -0.91 . . . . 0.0 109.489 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 142' ' ' LEU . . . -54.15 142.01 32.67 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.677 ' CD2' ' H ' ' A' ' 145' ' ' LEU . 1.1 pt? -91.94 -170.5 2.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -1.162 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.21 90.74 3.39 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 148' ' ' HIS . 16.4 t-80 51.47 -120.21 1.59 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.892 . . . . 0.0 109.435 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 147' ' ' HIS . 79.9 m80 -157.84 -33.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.461 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.518 ' N ' ' ND1' ' A' ' 149' ' ' HIS . 2.6 p-80 -169.22 81.06 0.13 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 150' ' ' HIS . 51.5 t-80 -70.38 44.89 0.07 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 149' ' ' HIS . 57.7 t-80 -68.0 -76.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.5 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.517 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 mtt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 1.6 pp20? -170.59 -22.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.413 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.468 ' N ' ' CD ' ' A' ' 2' ' ' GLU . . . -79.35 34.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.865 . . . . 0.0 109.395 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ASN . 34.7 m -83.12 -168.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.631 -0.668 . . . . 0.0 109.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 7' ' ' GLU . 7.4 mp -58.12 83.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.874 . . . . 0.0 109.222 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' VAL . 14.9 m120 -72.58 33.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 0.0 109.625 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' A' ' 5' ' ' LEU . 7.7 pt-20 -76.91 -169.47 1.32 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.178 -0.951 . . . . 0.0 109.166 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.581 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.3 mm? -80.07 -103.2 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.16 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t -144.71 146.92 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.175 -0.953 . . . . 0.0 109.472 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -84.95 134.09 34.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.035 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.49 -23.45 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.8 mm-40 -69.5 -45.1 69.71 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.37 -0.831 . . . . 0.0 109.096 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.72 -49.68 61.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.59 -48.07 83.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.921 -1.112 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.26 -36.33 61.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.776 -1.202 . . . . 0.0 109.885 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.0 tmmm? -52.19 -38.02 56.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.774 -1.204 . . . . 0.0 108.37 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -74.41 -29.76 61.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.289 -0.882 . . . . 0.0 108.792 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -65.61 -41.37 92.83 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -54.4 -46.54 73.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.28 -48.58 67.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.148 -0.97 . . . . 0.0 108.438 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -53.49 -45.21 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.361 -0.837 . . . . 0.0 108.768 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -71.56 -51.28 24.3 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.67 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -55.21 -39.56 69.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.587 -1.32 . . . . 0.0 108.176 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.37 -48.56 79.22 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -43.51 78.18 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.79 71.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.7 20.54 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.57 12.42 53.7 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -157.54 158.45 35.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.324 -1.104 . . . . 0.0 109.914 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.49 126.42 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.585 -0.697 . . . . 0.0 109.238 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 151.71 25.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 109.571 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -58.56 -25.3 62.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.645 -0.659 . . . . 0.0 109.587 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.0 m -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.214 -0.929 . . . . 0.0 110.85 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -70.32 -48.5 56.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.89 -1.131 . . . . 0.0 110.248 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -53.51 -50.27 65.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.988 -1.07 . . . . 0.0 109.701 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.665 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.48 -49.14 77.96 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 53.9 mt-10 -71.62 -28.79 64.03 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 0.0 110.963 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 32.6 t80 -85.49 -21.94 28.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -0.913 . . . . 0.0 110.267 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.92 -50.24 21.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.948 -1.095 . . . . 0.0 109.91 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 22.0 p-90 -60.98 -33.63 73.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.504 -1.373 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' CZ2' ' A' ' 40' ' ' TRP . 88.2 m -55.83 -40.27 72.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.065 . . . . 0.0 108.895 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -77.13 -53.88 7.21 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.272 -0.893 . . . . 0.0 109.554 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 5.9 t -50.92 -19.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 108.945 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.416 HH11 ' HB3' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -109.12 24.18 13.47 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.443 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 58.9 p -94.16 160.13 14.84 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.278 -0.889 . . . . 0.0 109.724 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -78.6 -8.23 58.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.87 . . . . 0.0 109.696 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -95.6 132.01 41.2 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -70.61 -47.31 60.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.303 -0.873 . . . . 0.0 109.821 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -49.85 -26.95 4.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 110.01 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -27.73 60.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 109.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 51' ' ' ILE . 53.4 mt -76.29 -53.05 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.042 -1.037 . . . . 0.0 110.071 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 ptm180 -54.58 -31.54 56.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.692 -1.255 . . . . 0.0 107.812 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -81.67 -39.41 24.38 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.15 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 121.137 -1.214 . . . . 0.0 108.245 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 52' ' ' ARG . 91.3 t -61.07 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.9 mt -50.55 -44.84 56.68 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.609 -0.682 . . . . 0.0 109.193 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 39' ' ' ALA . 37.0 mt -67.84 -44.85 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.025 . . . . 0.0 109.092 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.53 -33.55 60.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 109.84 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.59 -32.77 70.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.876 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.25 -29.41 57.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.14 -0.975 . . . . 0.0 111.355 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -54.08 -54.63 45.23 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.861 -1.149 . . . . 0.0 111.381 -178.151 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.0 Cg_exo -54.06 -22.81 26.27 Favored 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 120.597 0.864 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -126.85 51.12 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.306 -0.871 . . . . 0.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.59 151.88 19.07 Favored Glycine 0 N--CA 1.502 3.094 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.403 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 6.8 m -64.38 -172.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.973 -1.31 . . . . 0.0 108.958 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -74.75 -46.02 40.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.95 -1.093 . . . . 0.0 108.914 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.17 -45.56 92.84 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 66' ' ' SER . 48.8 mt-10 -56.45 -34.73 67.13 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' C ' ' HE ' ' A' ' 71' ' ' ARG . 4.2 tt0 -54.67 -38.83 67.41 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.728 ' HE ' ' N ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -71.56 -29.37 64.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.43 -52.15 17.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.039 -1.038 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.665 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 61.2 m-85 -53.12 -37.91 62.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.947 -1.096 . . . . 0.0 108.826 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.8 t -61.15 -33.9 58.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.74 -50.3 58.03 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.594 -0.691 . . . . 0.0 110.044 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.35 -38.42 74.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.779 -1.201 . . . . 0.0 110.003 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 59.5 mt -59.98 -38.79 83.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.022 -1.049 . . . . 0.0 109.602 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.83 72.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.038 -1.039 . . . . 0.0 109.031 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.83 -46.78 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.6 -38.92 96.64 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-80 -71.45 -27.91 63.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -1.173 . . . . 0.0 109.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.7 t80 -68.1 -29.56 68.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -74.19 -47.92 32.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 109.845 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 86' ' ' GLU . 37.2 mt -70.35 31.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.098 -1.001 . . . . 0.0 110.203 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.5 mttp 54.86 3.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 110.269 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 84' ' ' LEU . 80.1 mt-10 -78.09 88.08 4.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.24 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.22 -38.03 21.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 109.805 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.51 -50.62 72.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.135 -0.978 . . . . 0.0 109.883 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.268 -0.895 . . . . 0.0 109.85 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.93 86.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -76.07 -19.31 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 0.0 109.392 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -73.16 -35.98 66.54 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.58 -41.37 60.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.826 -0.546 . . . . 0.0 109.778 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.78 -30.62 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.166 -0.959 . . . . 0.0 110.77 -178.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.551 ' CG ' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -64.45 -48.57 74.79 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.947 -1.721 . . . . 0.0 108.275 179.462 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.29 -27.66 72.68 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 36.3 tp -62.57 -37.43 86.14 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.212 -1.169 . . . . 0.0 109.045 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.53 -35.93 58.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.922 -1.111 . . . . 0.0 109.387 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -54.38 -24.01 17.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 40.2 p -96.45 -48.15 5.68 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.75 77.6 75.28 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.785 -0.572 . . . . 0.0 109.996 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 2.1 Cg_endo -65.99 -15.28 48.12 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.492 1.462 . . . . 0.0 109.631 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -88.54 -3.35 58.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.374 -0.829 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -73.11 103.88 4.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 0.0 109.414 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -70.04 -39.46 75.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.524 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -55.59 -28.84 57.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.09 . . . . 0.0 109.368 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -77.19 -42.16 38.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.342 -0.849 . . . . 0.0 109.203 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 55.6 mttp -57.9 -40.63 80.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.89 . . . . 0.0 109.386 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.79 -51.24 70.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.7 tp -51.68 -41.61 61.55 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.388 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.64 -33.62 76.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.05 -1.031 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.6 -48.11 42.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 110.19 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.2 mt -56.74 -46.53 81.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 0.0 109.154 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 91' ' ' LEU . 43.9 mt -68.6 -50.3 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 119' ' ' LYS . 6.6 t70 -54.64 -43.94 72.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.776 . . . . 0.0 110.174 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.63 -53.41 57.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.982 -1.074 . . . . 0.0 109.915 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.7 80.63 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.99 -43.69 29.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.711 -0.618 . . . . 0.0 111.314 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 23.6 mmtm -73.2 -65.2 0.84 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 109.969 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER -56.33 -5.42 0.2 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.971 -1.081 . . . . 0.0 109.834 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 119' ' ' LYS . 25.2 t70 -55.67 -4.51 0.11 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.106 -0.996 . . . . 0.0 109.969 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 134.66 92.86 0.44 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.4 127.14 32.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -1.143 . . . . 0.0 109.246 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.5 t -89.35 150.07 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 109.514 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.04 -5.29 32.52 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.2 mtt 48.94 -127.27 2.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -1.157 . . . . 0.0 109.08 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.42 125.94 30.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.208 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.28 -160.15 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 131' ' ' GLY . 25.0 t 54.45 83.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.848 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' MET . . . 72.21 -20.2 0.97 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 68.32 -50.97 0.43 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -170.58 115.18 0.46 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -1.125 . . . . 0.0 109.242 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.98 123.5 25.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.191 -0.943 . . . . 0.0 109.664 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -88.81 -169.18 2.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 108.983 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 137' ' ' ALA . . . 90.77 -64.7 2.76 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.8 m -50.3 -18.28 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -1.153 . . . . 0.0 109.405 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 135' ' ' GLY . . . -86.62 123.72 32.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 109.438 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -172.9 75.85 0.09 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.4 mt -77.28 -59.71 2.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -1.142 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.57 -51.84 25.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 109.499 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 71.18 81.22 0.29 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 144' ' ' GLY . 14.5 mt -78.43 177.81 8.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -1.148 . . . . 0.0 109.49 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 19.5 pt -76.14 25.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 142' ' ' LEU . . . -77.33 157.78 46.78 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 144' ' ' GLY . 33.0 mt -62.75 -127.9 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -1.151 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 4.0 pt-20 -154.26 -43.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 146' ' ' GLU . 88.4 m-70 -159.45 -18.61 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 109.49 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -52.71 -8.32 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.476 ' H ' ' C ' ' A' ' 147' ' ' HIS . 12.2 t-80 -68.44 -16.78 64.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.428 ' N ' ' ND1' ' A' ' 150' ' ' HIS . 0.5 OUTLIER -65.59 -49.7 67.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 0.0 109.534 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.481 ' N ' ' ND1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -168.79 -169.23 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 0.0 109.448 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.974 -1.013 . . . . 0.0 109.462 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 3' ' ' ALA . 6.8 tp10 -170.88 -6.05 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 2' ' ' GLU . . . -55.76 -168.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.216 -0.928 . . . . 0.0 109.421 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.437 ' H ' HG22 ' A' ' 4' ' ' VAL . 2.1 m -92.75 86.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 7' ' ' GLU . 5.6 mp -71.78 43.93 0.1 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 6' ' ' ASN . 15.3 p30 -63.9 80.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' LEU . 29.6 tt0 -79.87 135.1 36.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.081 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' VAL . 35.5 tp -148.9 143.05 25.98 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 48.7 t -42.62 117.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.226 -0.921 . . . . 0.0 109.678 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 m -48.48 119.29 2.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.367 -0.833 . . . . 0.0 109.56 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.82 -24.84 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.3 mm-40 -67.4 -47.5 70.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 11.3 t70 -67.62 -45.22 76.05 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 108.982 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 14' ' ' LEU . 1.8 tm? -59.32 -50.16 75.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.409 -0.807 . . . . 0.0 109.657 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.0 -39.63 55.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.78 -1.2 . . . . 0.0 109.984 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.1 tmmm? -52.61 -48.81 66.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.763 -1.211 . . . . 0.0 108.798 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.05 -30.19 69.34 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.7 -41.83 78.57 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -56.39 -40.66 74.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -61.67 -49.34 76.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.3 -0.875 . . . . 0.0 109.03 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.16 -35.95 62.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.212 -0.93 . . . . 0.0 109.106 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -72.79 -52.36 15.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.417 -0.802 . . . . 0.0 109.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t -65.81 -45.95 80.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.827 -1.171 . . . . 0.0 110.002 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -59.8 -42.12 92.71 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.073 -1.017 . . . . 0.0 108.667 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -69.78 -38.99 76.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.81 71.37 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -16.26 22.27 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.07 16.46 50.76 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' GLU . 57.8 m -154.12 123.38 6.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.55 -0.971 . . . . 0.0 109.062 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.47 125.62 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.449 -0.782 . . . . 0.0 109.9 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.4 p -74.17 134.36 42.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.456 -0.778 . . . . 0.0 109.396 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.63 -19.08 14.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.359 -0.838 . . . . 0.0 109.286 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.2 t -75.25 -38.66 60.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.375 -0.828 . . . . 0.0 110.439 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -64.58 -48.84 73.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.959 -1.088 . . . . 0.0 110.16 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 61' ' ' LEU . 96.1 mt-30 -59.14 -40.9 86.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.932 -1.105 . . . . 0.0 109.45 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.699 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -64.95 -50.21 67.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.406 -0.809 . . . . 0.0 110.52 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -68.93 -23.86 64.21 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.99 0.9 . . . . 0.0 110.51 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.4 t80 -81.16 -29.62 34.64 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.533 -0.729 . . . . 0.0 110.699 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.47 -51.72 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.78 -1.2 . . . . 0.0 110.612 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -57.7 -32.91 67.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 117.555 -1.658 . . . . 0.0 108.219 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.484 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -56.15 -42.23 76.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.842 -1.161 . . . . 0.0 109.243 178.536 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 mt -78.06 -49.02 14.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.13 -0.981 . . . . 0.0 110.416 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 39' ' ' ALA . 25.2 t -49.67 -19.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.24 -0.912 . . . . 0.0 109.465 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -94.67 12.84 26.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 52.7 p -96.04 159.43 14.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 36.4 mtmt -97.65 53.07 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.173 -0.954 . . . . 0.0 109.766 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 59.2 m-85 -149.98 119.49 6.93 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 108.845 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -50.14 -48.98 53.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 111.138 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -51.99 -45.12 64.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.734 -1.229 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.777 -1.202 . . . . 0.0 109.785 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.24 -41.29 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.868 -1.145 . . . . 0.0 109.035 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -51.99 -31.28 28.74 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -73.09 -40.39 65.03 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.72 -39.27 66.63 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.67 -54.75 30.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.012 -1.287 . . . . 0.0 109.181 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.69 -51.99 66.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 CA-C-O 121.353 0.597 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.85 -47.74 60.21 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.36 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.45 -45.4 38.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 110.077 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.15 -51.66 69.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.794 -1.191 . . . . 0.0 109.481 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.18 -32.22 46.76 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.002 -1.061 . . . . 0.0 109.399 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD21 ' OE1' ' A' ' 35' ' ' GLN . 47.9 mt -76.95 -27.79 54.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.531 -0.73 . . . . 0.0 111.343 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 mt -50.27 -54.34 35.14 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.705 -1.247 . . . . 0.0 111.541 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -55.98 -21.07 32.45 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 N-CA-C 109.92 -0.838 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -103.39 5.22 37.02 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.337 -0.852 . . . . 0.0 110.968 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.49 146.94 17.43 Favored Glycine 0 N--CA 1.503 3.145 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -70.88 -163.18 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.015 -1.285 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 67' ' ' LYS . 12.3 mptt -74.89 -45.73 40.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.83 -1.168 . . . . 0.0 109.141 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.75 -31.18 70.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.07 -1.019 . . . . 0.0 108.463 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.86 -38.48 79.78 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . 30.7 mt-30 -54.75 -49.65 70.32 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.505 ' NH2' ' OE2' ' A' ' 101' ' ' GLU . 38.0 mtp180 -52.22 -37.3 54.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.312 -0.868 . . . . 0.0 109.129 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -77.62 -51.68 10.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.003 -1.06 . . . . 0.0 109.306 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.699 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 30.9 m-85 -56.14 -43.79 78.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 108.667 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 70' ' ' GLN . 61.7 t -60.61 -33.63 55.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.99 -49.81 64.21 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.658 -0.651 . . . . 0.0 110.215 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -70.01 -39.14 76.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.848 -1.157 . . . . 0.0 109.938 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.48 -45.02 95.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.956 -1.09 . . . . 0.0 109.702 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.84 69.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.823 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.67 -41.88 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.528 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.37 -44.37 84.95 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.71 -27.33 68.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -1.218 . . . . 0.0 109.249 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.64 -29.72 66.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 108.936 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 20.7 mmm180 -73.08 -47.69 42.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.364 -0.835 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.6 mt -68.86 27.91 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 68.3 mttt 57.02 1.74 0.1 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.041 . . . . 0.0 109.974 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 64.8 mm-40 -76.81 87.0 3.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 109.006 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 6.6 m-85 -79.07 -36.55 40.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.919 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.6 mp0 -62.74 -50.17 72.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.96 . . . . 0.0 110.153 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -66.99 -36.02 81.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.158 -0.964 . . . . 0.0 110.112 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.33 46.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.147 -0.971 . . . . 0.0 109.912 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.51 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -59.63 -20.53 56.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.032 -1.042 . . . . 0.0 109.306 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.41 -36.22 63.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 108.003 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.21 -38.88 55.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.722 -0.611 . . . . 0.0 109.668 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -34.4 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.216 -0.928 . . . . 0.0 110.543 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -65.29 -48.09 74.36 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.316 -1.49 . . . . 0.0 109.414 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.21 -28.16 73.65 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' O ' ' OG1' ' A' ' 100' ' ' THR . 55.6 tp -61.75 -36.56 81.37 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.284 -1.127 . . . . 0.0 108.978 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.41 -33.83 60.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.304 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -52.71 -29.53 27.35 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 28.3 p -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.616 0.722 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.505 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 36.1 mt-10 -130.23 78.23 74.89 Favored Pre-proline 0 N--CA 1.501 2.091 0 O-C-N 121.931 -0.481 . . . . 0.0 110.228 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.59 -17.58 60.03 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.59 1.526 . . . . 0.0 110.472 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.1 10.03 37.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.067 -1.021 . . . . 0.0 110.337 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 27.3 t-20 -81.65 112.83 19.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.89 -1.131 . . . . 0.0 109.479 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.99 -43.27 71.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 110.681 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -56.4 -33.29 65.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.085 . . . . 0.0 109.93 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 104' ' ' ASN . . . -79.44 -38.72 34.02 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.094 -1.004 . . . . 0.0 109.541 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -68.1 -46.35 71.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 110.007 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.15 -37.63 83.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.057 -1.027 . . . . 0.0 109.438 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.31 -41.14 96.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.56 -28.85 68.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.198 -0.938 . . . . 0.0 109.347 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -71.61 -44.59 64.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.703 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.178 -0.951 . . . . 0.0 109.164 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.51 HG21 ' CD1' ' A' ' 91' ' ' LEU . 39.0 mt -65.18 -52.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.509 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -40.2 68.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -55.51 -48.06 75.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.41 -49.15 78.33 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.484 ' SD ' ' CD2' ' A' ' 87' ' ' TYR . 24.9 mmm -48.11 -48.8 33.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.486 -0.759 . . . . 0.0 110.207 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -63.02 -33.15 74.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.559 -1.338 . . . . 0.0 109.315 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 122' ' ' GLY . 2.8 ttmp? -67.36 -57.23 7.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -74.73 22.16 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 0.0 109.44 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -150.23 51.62 0.53 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.42 110.5 0.34 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.367 -1.078 . . . . 0.0 109.736 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.545 HG22 ' N ' ' A' ' 125' ' ' GLY . 6.4 p -110.97 162.82 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 124' ' ' VAL . . . 62.36 72.63 0.62 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.2 mtt -58.52 -101.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -1.117 . . . . 0.0 109.382 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.76 133.61 36.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.339 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -141.56 15.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 CA-C-O 122.895 1.331 . . . . 0.0 108.497 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 130' ' ' GLY . 42.1 t 45.6 73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.618 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 129' ' ' VAL . . . 61.7 145.72 0.01 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -177.39 148.3 8.71 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 67.1 mtt 50.38 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.208 -1.172 . . . . 0.0 109.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -172.12 142.18 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.4 mt -68.1 76.41 0.23 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.4 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.73 -16.77 0.02 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.64 99.21 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -1.146 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -53.45 177.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 0.0 109.489 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -65.93 2.94 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.1 mt 56.06 70.1 0.67 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -1.14 . . . . 0.0 109.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.83 150.31 20.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.496 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -178.8 76.99 0.07 OUTLIER Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.12 -56.89 8.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.25 -1.147 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 19.1 pt -63.1 -30.57 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 0.0 109.415 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 50.34 -103.6 0.09 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 145' ' ' LEU . 0.3 OUTLIER -72.25 -124.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -1.145 . . . . 0.0 109.447 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 69.81 -6.27 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.35 -0.843 . . . . 0.0 109.063 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' A' ' 145' ' ' LEU . 32.2 m170 -94.25 -46.64 6.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 109.352 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -171.88 -82.05 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.564 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 25.3 t60 -170.98 -179.14 2.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.42 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.564 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 31.6 m170 51.58 -156.27 0.14 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -167.06 179.94 4.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.448 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.464 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.74 82.87 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.75 -179.92 0.14 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 m -64.28 141.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.6 mm? -90.36 75.02 6.9 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.257 -0.902 . . . . 0.0 109.151 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 7' ' ' GLU . 18.3 t-20 -77.64 18.55 0.44 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.121 -0.987 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 5' ' ' LEU . 43.2 tt0 43.5 94.08 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.66 -0.65 . . . . 0.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.47 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 109.153 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.26 117.55 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 m -65.67 135.62 55.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.358 -0.838 . . . . 0.0 109.384 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.74 -29.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.069 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.65 -42.16 95.61 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.068 -1.02 . . . . 0.0 108.763 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.31 -43.66 77.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.434 -0.791 . . . . 0.0 109.931 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -43.62 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.88 -1.138 . . . . 0.0 109.82 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.41 -37.68 56.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.775 -1.203 . . . . 0.0 109.186 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.89 63.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.945 . . . . 0.0 108.676 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -71.5 -27.58 63.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.59 -38.35 74.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 0.0 108.522 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -54.11 -46.43 72.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -56.47 -48.44 77.11 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.101 -0.999 . . . . 0.0 108.768 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.35 -32.24 66.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.19 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.27 -52.91 10.91 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.85 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.19 -50.65 72.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.666 -1.271 . . . . 0.0 109.931 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 29' ' ' SER . 12.0 mm-40 -57.43 -52.1 66.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.135 -0.978 . . . . 0.0 108.797 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -58.38 -38.09 76.6 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.327 -0.858 . . . . 0.0 109.433 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.93 -40.71 70.2 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -15.25 17.75 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.79 47.47 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -151.59 159.42 44.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.99 . . . . 0.0 108.949 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -137.75 125.34 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.366 -0.834 . . . . 0.0 109.351 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -75.19 140.9 43.61 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.395 -0.816 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.06 -35.44 64.53 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.417 -0.802 . . . . 0.0 108.974 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.6 m -53.47 -35.98 61.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.934 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -49.03 16.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.102 -0.998 . . . . 0.0 109.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' HD21 ' A' ' 61' ' ' LEU . 7.6 tt0 -58.98 -38.29 78.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.25 -53.01 27.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 110.296 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.83 -16.82 60.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.017 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.42 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 30.7 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.044 -1.035 . . . . 0.0 109.126 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.091 -1.006 . . . . 0.0 109.03 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.7 -44.98 77.91 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.331 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.7 m -54.46 -43.92 72.1 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.634 -0.666 . . . . 0.0 110.408 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 mt -76.96 -39.75 49.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.905 -1.122 . . . . 0.0 110.459 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' ALA . 62.0 t -52.74 -21.29 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.059 -1.025 . . . . 0.0 109.763 -179.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -108.63 28.51 8.32 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 p -86.08 161.56 18.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.655 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -82.91 -6.28 59.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -106.85 140.23 40.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -71.11 -45.0 64.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.351 -0.843 . . . . 0.0 110.309 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.01 -35.82 36.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.88 -32.05 63.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.843 -1.16 . . . . 0.0 108.934 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.83 -47.84 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.976 -1.078 . . . . 0.0 108.709 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.5 OUTLIER -52.47 -38.38 59.24 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -71.33 -36.58 71.61 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.13 -39.27 97.77 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.8 -33.23 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.892 -1.358 . . . . 0.0 108.111 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.92 -50.06 51.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.7 mt -48.68 -50.22 34.2 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.75 -45.33 90.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.024 -1.047 . . . . 0.0 109.545 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.76 -43.4 80.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.064 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.83 -34.74 65.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.139 -0.976 . . . . 0.0 110.256 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD21 ' NE2' ' A' ' 35' ' ' GLN . 20.9 mt -77.98 -27.46 49.09 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.207 -0.933 . . . . 0.0 111.687 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -49.64 -53.77 38.02 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.69 -1.257 . . . . 0.0 111.169 -177.493 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.7 Cg_exo -58.6 -21.07 53.26 Favored 'Trans proline' 0 C--N 1.315 -1.196 0 N-CA-C 110.018 -0.801 . . . . 0.0 110.018 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -106.84 -5.93 18.03 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.306 -0.871 . . . . 0.0 111.407 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 149.1 23.57 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.051 -1.264 . . . . 0.0 109.054 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.06 -46.49 28.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.755 -1.216 . . . . 0.0 109.477 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.412 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 6.3 mp0 -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.73 -49.19 78.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.934 -1.104 . . . . 0.0 108.505 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.26 -33.2 40.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.19 -0.944 . . . . 0.0 108.905 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.02 -47.42 20.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.284 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.1 m-85 -54.31 -45.05 72.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.75 -33.52 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.145 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 66.1 t80 -63.93 -50.47 68.54 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.717 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -68.8 -35.25 76.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.673 -1.267 . . . . 0.0 110.044 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.44 -44.71 92.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.107 -0.995 . . . . 0.0 109.427 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.82 71.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.086 -1.009 . . . . 0.0 108.891 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.43 -46.2 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.874 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.15 94.76 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.21 -28.49 67.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -1.189 . . . . 0.0 109.505 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 4.0 t80 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.544 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.68 -42.41 58.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 110.096 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.53 ' C ' ' H ' ' A' ' 86' ' ' GLU . 39.5 mt -67.17 31.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.993 -1.067 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 83' ' ' ARG . 15.2 ttpp 56.82 -0.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.043 . . . . 0.0 110.173 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 84' ' ' LEU . 50.3 mm-40 -78.23 91.84 4.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.895 -1.128 . . . . 0.0 109.027 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -84.49 -36.71 22.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.51 -51.23 37.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.735 -1.228 . . . . 0.0 110.145 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.93 -47.86 78.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 110.216 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.41 -36.1 61.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.961 -1.087 . . . . 0.0 109.865 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.12 -17.28 59.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.087 -1.008 . . . . 0.0 109.734 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -65.63 -39.83 91.89 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.24 -33.42 56.09 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.832 -0.543 . . . . 0.0 109.569 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -39.55 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.037 -1.039 . . . . 0.0 109.011 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.51 -46.83 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 109.218 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.61 -27.96 73.48 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' OG1' ' A' ' 100' ' ' THR . 40.0 tp -61.76 -36.12 80.11 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.209 -1.171 . . . . 0.0 108.988 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.8 mt -75.82 -35.78 59.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.848 -1.158 . . . . 0.0 109.37 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -52.94 -27.89 20.99 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 20.1 p -92.14 -44.97 8.51 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.627 0.727 . . . . 0.0 109.086 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.98 76.85 76.32 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.914 -0.491 . . . . 0.0 110.141 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.8 -21.26 58.25 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.334 1.356 . . . . 0.0 109.679 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.4 -1.31 55.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.666 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -71.89 99.93 2.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.517 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -67.42 -37.39 82.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.604 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' A' ' 75' ' ' PHE . 6.1 tt0 -56.29 -45.89 80.01 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.15 -0.969 . . . . 0.0 109.372 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.54 84.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.472 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.35 -35.28 75.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.14 -51.67 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.19 -37.52 64.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.449 -0.782 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.222 -0.924 . . . . 0.0 108.772 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -72.55 -48.57 39.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.328 -0.857 . . . . 0.0 109.455 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 108.812 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.2 -38.86 81.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.627 -0.67 . . . . 0.0 109.724 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -75.28 -44.54 45.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 109.634 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -56.4 -52.13 65.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.925 . . . . 0.0 109.416 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.24 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.431 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 29.9 ttm -48.4 -42.94 33.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.68 -0.638 . . . . 0.0 110.361 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.85 -27.26 33.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.621 -1.299 . . . . 0.0 109.67 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 122' ' ' GLY . 83.3 tttt -81.43 -12.28 58.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.194 -0.941 . . . . 0.0 109.776 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 118' ' ' MET . 54.1 p-10 -68.7 9.44 0.37 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.018 . . . . 0.0 109.434 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 88.53 -52.78 4.03 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 123' ' ' LEU . 4.1 mp -49.77 158.33 0.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 108.785 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 126' ' ' MET . 3.0 t 54.02 167.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.478 ' N ' ' CG1' ' A' ' 124' ' ' VAL . . . 66.02 -56.41 0.16 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 124' ' ' VAL . 25.0 mmt 53.95 -162.16 0.12 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -1.134 . . . . 0.0 108.903 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.31 129.32 41.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.054 -1.029 . . . . 0.0 109.423 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mm -105.42 148.79 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.54 -0.725 . . . . 0.0 109.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 31.9 t -147.3 -23.92 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.234 -0.916 . . . . 0.0 109.463 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.46 82.58 0.1 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.87 -172.62 26.32 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 44.4 mtt -69.83 -28.63 65.86 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -1.161 . . . . 0.0 109.483 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.78 150.95 43.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.6 mt -69.99 170.02 12.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.263 -0.898 . . . . 0.0 109.402 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.13 127.6 21.63 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -69.96 -12.76 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.308 -1.113 . . . . 0.0 109.508 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -171.77 -93.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 109.391 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.47 -63.87 1.79 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.2 mt 52.5 72.67 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.202 -1.175 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.81 -58.1 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.318 -0.864 . . . . 0.0 109.295 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -175.26 89.91 0.08 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -165.21 34.4 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -1.135 . . . . 0.0 109.218 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.56 -13.8 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.132 -0.98 . . . . 0.0 109.39 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.77 139.7 6.15 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.49 91.19 2.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -1.133 . . . . 0.0 109.346 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 10.3 pt-20 -66.46 -17.26 64.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 0.0 109.461 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 146' ' ' GLU . 52.9 m80 -158.55 170.55 21.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.882 . . . . 0.0 109.456 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 147' ' ' HIS . 19.4 m80 56.84 164.31 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.547 ' N ' ' ND1' ' A' ' 149' ' ' HIS . 3.3 p-80 -173.28 92.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 109.417 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -69.03 64.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.516 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 149' ' ' HIS . 43.6 t-80 51.5 94.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.912 . . . . 0.0 109.493 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 10.8 t60 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.466 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 51.87 74.4 0.26 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 0.0 109.423 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -71.65 132.93 45.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 109.46 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.03 54.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.224 -0.923 . . . . 0.0 109.453 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' ALA . 4.5 tp -94.89 30.19 2.16 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.262 1.03 . . . . 0.0 108.472 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 5' ' ' LEU . 19.9 m-20 52.59 176.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.822 -1.174 . . . . 0.0 109.5 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -44.35 146.82 0.63 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.767 -0.583 . . . . 0.0 109.724 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -79.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.18 -0.95 . . . . 0.0 109.359 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -90.35 158.95 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.096 -1.002 . . . . 0.0 109.167 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.8 m -89.43 128.01 35.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 108.81 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.53 -23.06 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 108.895 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 48.7 mt-10 -66.49 -45.98 77.82 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.403 -0.811 . . . . 0.0 109.261 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -67.8 -50.69 55.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.121 -0.987 . . . . 0.0 110.492 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mm? -54.35 -48.97 70.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.933 -1.104 . . . . 0.0 109.439 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LYS . 58.6 mt -77.73 -42.39 34.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.951 -1.093 . . . . 0.0 110.513 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.0 tmmm? -51.63 -47.48 63.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.619 -1.301 . . . . 0.0 108.642 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 26.8 m-85 -67.32 -29.06 68.53 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -75.16 -34.61 61.61 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . 44.6 tttt -54.4 -45.99 73.04 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -62.59 -46.75 86.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.58 -38.89 60.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.363 -0.835 . . . . 0.0 109.329 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.41 -51.66 19.41 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.291 -0.881 . . . . 0.0 110.346 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -65.06 -35.63 81.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.782 -1.198 . . . . 0.0 109.647 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' SER . 45.0 mm-40 -59.04 -49.86 76.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.812 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -63.34 -33.6 75.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.062 . . . . 0.0 108.914 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.72 82.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.47 -16.77 26.13 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.8 15.46 52.39 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLU . 75.0 m -151.94 157.19 41.44 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.391 -1.064 . . . . 0.0 109.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.41 121.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.433 -0.792 . . . . 0.0 109.603 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.5 p -80.87 142.35 33.7 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.534 -0.729 . . . . 0.0 109.409 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -55.59 -30.47 60.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.345 -0.847 . . . . 0.0 109.135 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -54.24 -48.53 71.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -65.08 -49.93 68.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.085 -1.009 . . . . 0.0 110.202 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -55.47 -46.57 76.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.156 -0.965 . . . . 0.0 109.64 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.82 -49.45 76.24 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.449 -0.782 . . . . 0.0 110.556 -179.424 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.563 ' O ' ' NE1' ' A' ' 40' ' ' TRP . 18.6 mm-40 -68.26 -23.39 64.77 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.988 0.899 . . . . 0.0 110.785 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CE2' HD11 ' A' ' 42' ' ' LEU . 52.3 t80 -84.14 -28.11 27.67 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.563 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.15 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.919 -1.113 . . . . 0.0 110.925 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' NE1' ' O ' ' A' ' 37' ' ' GLU . 9.9 p-90 -57.63 -39.41 76.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.553 -1.342 . . . . 0.0 108.227 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 84.5 m -56.42 -39.28 72.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.857 . . . . 0.0 110.921 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 38' ' ' TYR . 13.7 mt -70.76 -57.67 4.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.762 -1.211 . . . . 0.0 110.268 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.528 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 16.7 m -52.75 -14.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.223 -0.923 . . . . 0.0 108.561 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 42.4 ttt180 -81.17 10.86 4.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 28.9 t -104.26 -146.96 0.38 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.158 -0.964 . . . . 0.0 109.098 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -146.3 10.9 1.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.071 -1.018 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 80.4 m-85 -99.71 120.59 39.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.221 -0.924 . . . . 0.0 108.976 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -49.09 -49.29 42.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 0.0 110.806 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.05 -41.6 62.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.77 -1.206 . . . . 0.0 111.007 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -71.74 -50.1 33.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.875 -1.14 . . . . 0.0 109.521 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' A' ' 50' ' ' ASP . 24.0 mt -60.31 -46.34 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.518 -0.739 . . . . 0.0 109.157 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -52.38 -55.05 24.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.981 . . . . 0.0 108.458 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -54.94 -36.49 65.34 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.63 -40.27 87.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.4 mm -58.33 -53.67 43.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.05 -1.265 . . . . 0.0 108.712 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -54.16 -49.86 59.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.569 0.7 . . . . 0.0 109.223 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.57 -50.43 42.41 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.499 -0.751 . . . . 0.0 110.01 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.81 -41.04 65.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.694 -1.254 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.75 -40.24 94.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.941 -1.099 . . . . 0.0 110.114 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -62.0 -35.41 78.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.84 -28.35 55.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.191 -0.943 . . . . 0.0 111.699 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -52.03 -53.97 45.99 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.833 -1.167 . . . . 0.0 111.555 -177.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -53.45 -19.55 13.61 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 N-CA-C 110.039 -0.793 . . . . 0.0 110.039 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -116.66 7.34 13.53 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.401 -0.812 . . . . 0.0 110.612 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.99 150.32 20.93 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -70.15 -168.93 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.995 -1.297 . . . . 0.0 108.486 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -75.73 -46.92 28.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.592 -1.318 . . . . 0.0 109.076 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -58.68 -49.4 77.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.452 -0.78 . . . . 0.0 109.523 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.84 -29.84 68.55 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.165 -0.959 . . . . 0.0 108.686 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -56.01 -52.28 64.78 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -53.54 -33.1 53.39 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.394 -0.816 . . . . 0.0 108.801 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -77.67 -49.78 13.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.929 . . . . 0.0 109.1 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 34.9 m-85 -52.01 -49.5 63.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.952 . . . . 0.0 108.606 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.01 -32.13 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.43 -50.22 47.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 0.0 110.592 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -66.79 -34.45 77.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.656 -1.278 . . . . 0.0 109.008 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.13 -46.6 88.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.918 . . . . 0.0 109.994 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.3 67.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.072 . . . . 0.0 109.181 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.66 -45.88 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.921 . . . . 0.0 109.54 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.27 98.09 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -72.2 -29.73 64.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -1.234 . . . . 0.0 109.492 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.8 t80 -66.23 -30.21 70.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.947 . . . . 0.0 108.93 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 43' ' ' VAL . 27.2 ttm180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.0 109.589 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 86' ' ' GLU . 92.3 mt -70.09 26.66 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 110.036 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 83' ' ' ARG . 64.6 mttt 57.98 1.39 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.0 109.852 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -76.51 92.62 3.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.062 -1.023 . . . . 0.0 108.89 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.92 -36.72 21.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 110.209 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.67 -51.25 60.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.839 -1.163 . . . . 0.0 109.985 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -68.71 -46.86 67.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.099 -1.001 . . . . 0.0 110.204 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.37 67.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.949 -1.095 . . . . 0.0 109.82 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.6 mt -72.8 -17.8 61.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.118 -0.988 . . . . 0.0 109.717 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -65.07 -40.08 94.17 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -77.34 -33.88 55.36 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -38.21 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.239 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.01 -46.04 89.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.35 -1.469 . . . . 0.0 108.785 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.15 -28.19 73.44 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 33.9 tp -60.96 -36.27 78.94 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.197 -1.178 . . . . 0.0 109.088 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.98 -35.44 59.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.745 -1.222 . . . . 0.0 109.384 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -54.48 -24.97 22.61 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 34.0 p -94.93 -48.3 6.06 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -129.01 77.58 77.7 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.802 -0.561 . . . . 0.0 110.126 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.36 -22.83 52.15 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 121.269 1.313 . . . . 0.0 109.57 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.4 -3.36 49.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 106' ' ' GLN . 59.0 t-20 -72.03 99.23 2.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.375 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.583 ' ND2' ' OE1' ' A' ' 106' ' ' GLN . 14.8 p-10 -68.33 -35.74 78.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 0.0 109.532 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.679 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 2.7 mp0 -56.28 -43.06 78.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.186 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.02 84.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.476 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -56.34 -44.27 79.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.282 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.48 -51.07 67.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -51.07 -38.85 54.09 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.96 -32.35 73.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.053 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.18 -46.65 55.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 109.556 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.66 -46.32 81.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 108.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.09 -38.36 81.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.9 -40.47 68.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.482 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -56.6 -52.71 63.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.636 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.74 79.28 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.2 ttm -47.75 -46.93 30.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.729 -0.607 . . . . 0.0 110.354 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.408 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.7 mptm? -81.88 -7.08 59.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.08 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 122' ' ' GLY . 52.8 tttp -79.72 -37.79 34.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.234 -0.916 . . . . 0.0 109.502 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -71.39 45.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.298 -0.876 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 164.22 53.41 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.39 128.82 36.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -1.042 . . . . 0.0 109.963 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 126' ' ' MET . 5.0 t -146.83 143.72 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.07 12.07 0.23 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 124' ' ' VAL . 33.0 mtt 47.36 42.74 14.43 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.228 -1.16 . . . . 0.0 108.839 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 57.78 125.86 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.875 0.845 . . . . 0.0 109.933 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.0 mm -89.12 122.94 41.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 109.292 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 131' ' ' GLY . 89.7 t -154.92 86.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 55.66 4.99 0.73 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 76.84 38.99 29.76 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 36.7 ttm -171.48 138.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.17 -1.194 . . . . 0.0 109.575 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -173.94 125.05 0.35 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 136' ' ' VAL . 21.2 mt -78.16 35.62 0.22 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.293 -0.88 . . . . 0.0 109.466 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.87 -28.12 1.35 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 134' ' ' LEU . 2.8 t -145.65 37.57 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.235 -1.156 . . . . 0.0 109.211 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -85.77 -134.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.01 69.46 1.35 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -78.11 -30.09 49.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.311 -1.111 . . . . 0.0 109.169 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 141' ' ' GLY . . . -67.15 149.1 50.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.496 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 140' ' ' ALA . . . -63.17 -133.37 0.01 OUTLIER Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 166.93 -36.62 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 10.9 tt -46.75 -22.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 109.646 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -66.76 -129.22 0.02 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.76 -152.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -1.115 . . . . 0.0 109.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -84.45 -26.32 28.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 109.466 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.516 ' CD2' ' NE2' ' A' ' 149' ' ' HIS . 65.3 t60 52.92 42.12 32.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 0.0 109.419 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.552 ' ND1' ' NE2' ' A' ' 150' ' ' HIS . 0.5 OUTLIER -69.63 -170.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 0.0 109.488 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 148' ' ' HIS . 95.0 m-70 -158.31 -18.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.314 -0.866 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.552 ' NE2' ' ND1' ' A' ' 148' ' ' HIS . 39.3 m-70 51.44 -173.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.91 . . . . 0.0 109.47 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 63.1 m80 -62.05 -13.55 27.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 0.0 109.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.476 ' N ' ' ND1' ' A' ' 152' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' H ' ' A' ' 3' ' ' ALA . 20.6 mmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.4 40.96 0.08 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.496 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 5' ' ' LEU . . . -167.92 166.46 13.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.42 36.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.149 -0.969 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 6' ' ' ASN . 3.1 tt -82.55 122.73 28.46 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.451 -0.781 . . . . 0.0 109.124 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.495 ' N ' HD23 ' A' ' 5' ' ' LEU . 64.5 m-80 -154.68 35.86 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.697 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.1 pt-20 -170.15 32.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.578 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.7 mt 43.07 -96.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.7 -0.625 . . . . 0.0 110.218 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLU . 21.9 t -74.95 139.67 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.749 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m -70.5 133.53 46.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.259 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.39 -26.86 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.316 -0.865 . . . . 0.0 108.933 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -68.62 -46.3 69.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.168 -0.958 . . . . 0.0 109.005 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.3 -48.07 79.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.291 -0.881 . . . . 0.0 110.262 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 109.711 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.44 -38.62 55.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.751 -1.218 . . . . 0.0 109.182 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -50.86 -52.23 43.68 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 27.0 m-85 -64.03 -27.99 69.49 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.83 -34.57 64.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.29 -0.881 . . . . 0.0 108.674 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -54.25 -47.85 71.79 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' OE2' ' A' ' 24' ' ' GLU . 12.8 mtmt -63.7 -48.18 78.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 108.653 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -52.67 -40.37 62.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.206 -0.933 . . . . 0.0 109.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -70.78 -52.3 21.52 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.387 -0.821 . . . . 0.0 110.002 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 t -58.76 -42.1 88.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.41 -43.8 79.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 108.763 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -62.12 -36.02 80.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.095 -1.003 . . . . 0.0 108.619 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.1 -45.62 75.46 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.84 26.74 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.16 55.49 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.46 158.48 42.66 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.517 -0.99 . . . . 0.0 109.536 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -139.35 118.2 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.449 -0.782 . . . . 0.0 109.602 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -71.93 142.8 49.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.572 -0.705 . . . . 0.0 109.414 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -57.33 -17.86 14.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -66.54 -49.2 67.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.86 . . . . 0.0 110.092 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 6.6 m -67.87 -36.28 80.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.106 -0.996 . . . . 0.0 109.981 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.082 -1.011 . . . . 0.0 110.845 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 73' ' ' TYR . 6.8 m-85 -64.03 -51.12 65.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.179 -0.951 . . . . 0.0 110.684 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 pp20? -62.2 -15.18 44.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 42' ' ' LEU . 41.3 t80 -85.07 -29.07 25.2 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.156 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -75.73 -50.58 14.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.897 -1.127 . . . . 0.0 110.783 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' NE1' ' SG ' ' A' ' 41' ' ' CYS . 2.7 p-90 -57.36 -38.55 74.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.234 -1.541 . . . . 0.0 108.011 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 91.3 m -60.26 -38.07 82.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.135 -0.978 . . . . 0.0 110.421 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.9 mt -77.74 -56.88 4.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.985 -1.072 . . . . 0.0 111.177 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 m -52.34 -16.25 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 109.69 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -92.95 14.47 17.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.378 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 31.1 t -90.85 -151.5 0.25 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.004 -1.06 . . . . 0.0 109.469 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' NZ ' ' CZ ' ' A' ' 47' ' ' TYR . 21.7 pttp -131.8 1.42 3.99 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.539 -0.726 . . . . 0.0 109.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' NZ ' ' A' ' 46' ' ' LYS . 80.7 m-85 -98.34 121.32 40.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.302 -0.874 . . . . 0.0 108.992 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.74 -49.62 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 110.233 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.99 -33.67 39.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.96 -1.087 . . . . 0.0 110.454 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.95 -29.49 68.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.977 -1.077 . . . . 0.0 109.467 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.36 -45.59 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.111 -0.993 . . . . 0.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mtt-85 -54.15 -26.22 26.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -86.43 -45.69 10.92 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 108.874 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.63 95.96 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.139 -1.185 . . . . 0.0 110.139 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.01 -40.1 80.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.035 -1.274 . . . . 0.0 108.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' ARG . 53.2 t -66.42 -45.94 87.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 25.7 mt -49.9 -42.33 47.82 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -74.57 -39.33 62.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.921 -1.112 . . . . 0.0 109.72 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -59.32 -37.56 78.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.09 -1.006 . . . . 0.0 109.991 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -68.99 -35.57 76.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 110.12 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.5 -28.96 56.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 111.167 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -51.78 -55.37 30.72 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.785 -1.197 . . . . 0.0 111.808 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -52.63 -37.9 75.35 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.798 0.998 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -99.2 55.02 0.98 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 157.14 27.16 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 m -70.67 -177.94 1.69 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.14 -1.212 . . . . 0.0 109.232 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -75.46 -41.93 54.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.946 -1.096 . . . . 0.0 109.504 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.535 ' CD ' HH12 ' A' ' 71' ' ' ARG . 4.4 tm-20 -67.65 -49.76 61.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 108.857 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.2 -31.08 65.11 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.347 -0.846 . . . . 0.0 109.283 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -64.33 -46.57 82.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.157 -0.964 . . . . 0.0 108.949 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.535 HH12 ' CD ' ' A' ' 68' ' ' GLU . 2.2 mtm-85 -52.33 -30.3 27.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.048 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.48 -51.64 22.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 109.3 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 36' ' ' PHE . 3.0 m-85 -59.49 -29.41 67.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 0.0 109.215 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.77 -41.96 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 108.651 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.3 -49.8 76.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.672 -0.642 . . . . 0.0 110.613 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -62.83 -39.71 95.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.765 -1.21 . . . . 0.0 110.49 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.29 -44.77 95.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.001 -1.062 . . . . 0.0 109.584 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.43 62.27 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.056 -1.027 . . . . 0.0 108.865 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.64 -42.07 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.65 98.53 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -68.34 -29.44 68.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.247 . . . . 0.0 109.438 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.19 -29.65 69.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -72.66 -47.71 45.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 86' ' ' GLU . 47.7 mt -71.8 31.6 0.05 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.979 -1.076 . . . . 0.0 110.064 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 87' ' ' TYR . 58.8 mttt 61.77 -16.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.307 -0.87 . . . . 0.0 110.633 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -57.74 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.741 -1.225 . . . . 0.0 108.498 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' LYS . 49.5 m-85 -82.46 -37.56 25.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 110.205 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.63 -51.51 34.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.865 -1.147 . . . . 0.0 110.467 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.79 -37.68 82.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.093 -1.004 . . . . 0.0 110.231 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.67 94.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.843 -1.161 . . . . 0.0 109.873 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ARG . 65.2 mt -70.01 -18.62 63.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.09 -40.02 90.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -31.91 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 109.776 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LEU . 17.8 mmm-85 -68.75 -48.61 63.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.613 -1.304 . . . . 0.0 109.731 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.72 -29.63 75.02 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.206 -1.557 . . . . 0.0 109.206 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 25.7 tp -59.6 -39.69 85.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.504 -0.998 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ALA . 72.5 mt -75.85 -28.09 58.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.829 -1.17 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.59 -28.58 63.75 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 72.4 p -86.87 -50.88 6.41 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.713 -0.617 . . . . 0.0 109.587 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -130.8 77.35 75.66 Favored Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.701 -0.625 . . . . 0.0 110.212 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.48 -8.61 21.35 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.405 1.403 . . . . 0.0 109.793 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -89.09 -6.84 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 7.1 t-20 -72.89 105.13 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.167 -0.958 . . . . 0.0 109.563 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.7 -36.51 78.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -0.891 . . . . 0.0 109.661 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -56.88 -49.22 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.457 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.451 ' HB2' ' OD1' ' A' ' 104' ' ' ASN . . . -56.94 -39.92 75.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.58 -40.19 95.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 0.0 109.171 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.62 -51.84 67.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.363 -0.836 . . . . 0.0 109.422 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.67 -37.84 59.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.53 -0.731 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.04 -38.89 92.33 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.039 -1.038 . . . . 0.0 109.102 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -54.81 -51.67 65.07 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.334 -0.853 . . . . 0.0 109.618 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.2 -44.01 87.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.0 -34.57 64.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.51 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.02 -49.49 19.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -55.81 -51.46 67.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.83 78.21 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.6 ttm -49.0 -48.38 43.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.529 -0.732 . . . . 0.0 110.345 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.63 -29.17 61.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.542 -1.349 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' GLY . 84.0 tttt -53.31 -46.74 69.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.383 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -68.34 48.95 0.06 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.851 . . . . 0.0 109.299 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -69.67 122.47 12.11 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 122' ' ' GLY . 44.5 mt -54.68 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.219 -1.165 . . . . 0.0 108.373 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.522 ' O ' ' SD ' ' A' ' 126' ' ' MET . 0.2 OUTLIER -111.64 134.02 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 126' ' ' MET . . . -87.44 -31.64 15.76 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 120.312 -0.947 . . . . 0.0 110.832 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.522 ' SD ' ' O ' ' A' ' 124' ' ' VAL . 0.0 OUTLIER 33.38 -138.39 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 118.094 0.947 . . . . 0.0 110.645 -179.007 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.71 131.06 45.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.961 -1.087 . . . . 0.0 108.863 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 129' ' ' VAL . 96.1 mt -117.19 155.96 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.598 -0.689 . . . . 0.0 109.268 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 128' ' ' ILE . 40.8 t -148.0 -34.44 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.206 -0.934 . . . . 0.0 109.401 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 177.28 77.77 0.05 OUTLIER Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.02 -161.45 5.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 56.7 mtt -63.17 156.35 25.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.271 -1.135 . . . . 0.0 109.451 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 135' ' ' GLY . . . -168.87 127.54 1.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.347 -0.846 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' GLY . 14.2 mt -76.31 35.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.182 -0.949 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 133' ' ' ALA . . . 57.06 106.81 0.01 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.53 -17.01 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.23 -1.159 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -82.42 43.84 0.84 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 109.43 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.41 43.5 1.32 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.5 mt -68.37 -75.66 0.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -1.162 . . . . 0.0 109.442 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.85 -167.59 2.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.301 -0.875 . . . . 0.0 109.207 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 142' ' ' LEU . . . 171.03 48.67 0.04 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 141' ' ' GLY . 2.4 mp -105.16 -61.21 1.51 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.397 -1.061 . . . . 0.0 109.198 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 15.9 tt -76.43 -12.8 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.66 105.26 0.71 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 145' ' ' LEU . 2.9 mm? -64.12 102.03 0.46 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.267 -1.137 . . . . 0.0 109.193 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.584 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 20.8 mp0 -46.82 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.335 -0.853 . . . . 0.0 109.663 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -167.18 149.87 6.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.894 . . . . 0.0 109.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -76.84 -86.25 0.05 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 0.0 109.42 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.611 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 0.7 OUTLIER -170.04 -125.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.408 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.611 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -166.5 -60.0 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 109.428 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 150' ' ' HIS . 51.8 t-80 52.88 97.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.456 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.485 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.2 mpt? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -170.27 49.16 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.432 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -171.82 128.98 0.64 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' ALA . 95.9 t 51.63 98.91 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 mm? -81.97 123.22 28.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -0.953 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -169.17 146.86 3.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.53 146.74 53.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 109.497 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.98 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.649 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 t -77.17 122.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.762 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 m -64.54 135.26 55.82 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.939 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.68 -25.81 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.193 -0.942 . . . . 0.0 109.17 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 42.7 mt-10 -68.6 -45.97 70.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.12 -0.988 . . . . 0.0 109.49 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.73 -43.04 99.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.222 -0.924 . . . . 0.0 110.742 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -70.85 -44.31 66.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.87 -1.144 . . . . 0.0 109.913 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -78.38 -30.35 47.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.717 -1.24 . . . . 0.0 110.156 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.5 ttpt -55.13 -55.16 34.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.884 -1.135 . . . . 0.0 109.236 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.9 -24.53 63.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 108.808 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -72.22 -33.83 67.88 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -47.25 76.62 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -61.04 -47.84 84.52 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.095 -1.003 . . . . 0.0 109.069 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.76 -32.49 52.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.253 -0.904 . . . . 0.0 109.564 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -72.67 -52.09 16.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.28 -0.888 . . . . 0.0 109.625 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 p -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.808 -1.182 . . . . 0.0 109.791 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 29' ' ' SER . 42.2 mt-10 -58.82 -43.55 90.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 0.0 109.124 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -69.7 -40.01 76.56 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.187 -0.946 . . . . 0.0 108.906 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.82 68.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -14.41 26.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.72 16.93 53.87 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.0 m -156.07 123.71 5.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.426 -1.044 . . . . 0.0 109.489 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -107.26 122.39 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.747 . . . . 0.0 109.543 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.5 p -70.57 137.75 50.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -58.82 -18.61 33.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.371 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -64.63 -48.62 74.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.627 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' TYR . 21.7 m -71.64 -39.62 70.24 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.135 -0.978 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.94 -39.04 65.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 109.369 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.2 m-85 -74.08 -50.1 21.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.234 -0.916 . . . . 0.0 109.888 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.17 -16.72 62.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 109.009 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 10.6 t80 -78.86 -31.66 45.68 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -74.11 -38.88 63.71 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.213 -0.929 . . . . 0.0 108.86 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.477 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.19 -54.13 40.4 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.531 ' SG ' HD23 ' A' ' 14' ' ' LEU . 11.3 p -53.73 -39.09 64.99 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.725 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.2 mt -78.17 -36.81 47.07 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 110.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.2 t -49.7 -22.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 45' ' ' SER . 44.2 mtp180 -94.41 -105.63 0.14 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 47' ' ' TYR . 8.7 t 57.94 124.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.532 -0.73 . . . . 0.0 110.285 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -64.08 3.97 0.37 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 45' ' ' SER . 77.9 m-85 -110.57 138.09 47.42 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.549 -0.72 . . . . 0.0 109.457 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -71.91 -48.29 46.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.925 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -52.45 -33.75 45.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.864 -1.148 . . . . 0.0 110.557 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.25 -29.17 69.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 109.082 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.9 mt -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.117 -0.989 . . . . 0.0 108.788 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -50.69 -52.95 35.31 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -51.72 -44.31 63.18 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.78 -42.92 59.95 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.81 -54.45 34.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 120.903 -1.351 . . . . 0.0 108.83 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.53 -51.89 64.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.542 0.687 . . . . 0.0 109.199 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 43.7 mt -48.67 -48.11 40.21 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.544 -0.722 . . . . 0.0 109.672 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.21 -45.04 35.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.858 -1.151 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -55.97 -31.66 63.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.814 -1.179 . . . . 0.0 110.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -73.51 -37.33 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -0.996 . . . . 0.0 110.006 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.25 -29.46 57.5 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.084 -1.01 . . . . 0.0 111.16 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.8 mp -50.5 -55.75 23.78 Favored Pre-proline 0 N--CA 1.486 1.342 0 O-C-N 120.629 -1.294 . . . . 0.0 110.856 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.3 Cg_exo -53.51 -25.55 32.87 Favored 'Trans proline' 0 C--N 1.321 -0.881 0 N-CA-C 109.964 -0.821 . . . . 0.0 109.964 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -99.11 33.05 2.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.274 -0.891 . . . . 0.0 109.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 156.85 23.28 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -79.85 -168.13 1.5 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -1.133 . . . . 0.0 109.294 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -73.84 -39.02 64.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.076 -1.015 . . . . 0.0 109.737 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -72.77 -41.57 64.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 108.793 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.88 -35.42 76.57 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.637 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.46 -40.63 85.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.1 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 12.2 ttp180 -51.87 -34.77 42.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.927 . . . . 0.0 108.712 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -76.85 -51.33 11.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.003 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.517 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.7 m-85 -62.76 -40.16 96.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 0.0 109.851 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.08 -36.79 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.015 -1.053 . . . . 0.0 108.628 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -59.42 -45.0 92.77 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.647 -0.658 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -70.0 -37.27 75.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.956 -1.09 . . . . 0.0 110.289 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.05 -44.94 94.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.049 . . . . 0.0 109.145 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.74 -34.95 71.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.152 -0.968 . . . . 0.0 108.995 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.54 -38.69 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.43 -44.79 63.09 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -66.05 -28.97 69.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 0.0 109.066 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -68.64 -30.35 69.03 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.873 . . . . 0.0 109.121 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 85' ' ' LYS . 8.7 tpm_? -68.68 -43.21 76.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.63 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 86' ' ' GLU . 54.9 mt -71.79 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.243 -0.911 . . . . 0.0 110.025 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.9 mttm 59.46 -1.97 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.899 . . . . 0.0 110.312 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -72.84 93.82 1.74 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.896 -1.127 . . . . 0.0 108.913 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -84.97 -36.9 21.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.508 -0.745 . . . . 0.0 109.961 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 20.6 mp0 -67.15 -39.76 86.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 110.588 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -76.68 -46.24 26.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.11 67.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 114' ' ' ILE . 6.4 mp -54.8 -52.09 63.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 108.59 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -44.18 -34.31 1.81 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.67 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -76.33 -48.93 18.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.999 -1.063 . . . . 0.0 108.784 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -28.36 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.458 -0.776 . . . . 0.0 110.071 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.02 -47.47 71.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.691 -1.256 . . . . 0.0 109.603 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.63 -28.6 72.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' ' OG1' ' A' ' 100' ' ' THR . 30.0 tp -59.68 -37.21 78.17 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.498 -1.001 . . . . 0.0 108.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 88.7 mt -76.77 -33.3 58.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.782 -1.199 . . . . 0.0 109.557 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -53.43 -26.16 18.83 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 80.2 p -86.52 -50.96 6.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 56.7 mt-10 -132.47 79.34 65.47 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.721 -0.612 . . . . 0.0 109.831 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.4 -16.61 48.39 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.16 1.24 . . . . 0.0 109.682 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -81.86 1.6 34.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -79.82 103.01 9.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.072 -1.018 . . . . 0.0 109.698 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.23 -35.29 68.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.886 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.21 -35.79 67.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.15 -0.969 . . . . 0.0 109.314 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -75.77 -28.07 58.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.121 -0.987 . . . . 0.0 109.105 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -71.48 -50.14 34.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 109.837 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -32.33 67.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.014 -1.054 . . . . 0.0 109.312 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.14 -43.29 99.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 108.894 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -54.27 -38.51 65.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -62.01 -50.99 69.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 110.404 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.56 -49.17 73.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.011 -1.056 . . . . 0.0 109.228 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 91' ' ' LEU . 51.9 mt -67.33 -40.9 85.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.415 -0.803 . . . . 0.0 109.255 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.08 -46.2 68.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.853 . . . . 0.0 109.517 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -56.35 -51.8 66.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.22 -0.925 . . . . 0.0 109.472 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.01 77.8 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.12 -1.032 . . . . 0.0 108.233 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.8 ttm -46.48 -40.39 12.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.466 -0.771 . . . . 0.0 110.312 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' ' 121' ' ' ASP . 57.0 mttm -72.72 -23.87 60.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.672 -1.267 . . . . 0.0 110.336 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 122' ' ' GLY . 23.2 pttt -63.79 0.85 0.73 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.867 -1.146 . . . . 0.0 109.286 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 119' ' ' LYS . 15.0 p-10 -59.78 1.29 0.1 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 109.829 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 74.37 -156.13 49.57 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.3 mt 52.93 105.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.569 -0.959 . . . . 0.0 109.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.515 HG22 ' N ' ' A' ' 125' ' ' GLY . 12.4 p -140.8 164.2 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.542 -0.724 . . . . 0.0 109.657 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 124' ' ' VAL . . . 59.51 0.43 0.88 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 124' ' ' VAL . 73.3 mmm -67.62 -134.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -1.166 . . . . 0.0 109.186 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.13 130.83 43.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.162 -0.962 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.52 135.13 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-O 121.672 0.748 . . . . 0.0 109.074 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 37.5 t -123.21 109.03 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 179.23 -100.12 0.13 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.73 65.25 3.95 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 46.6 ttp -67.96 118.77 11.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -1.155 . . . . 0.0 109.468 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -172.64 159.81 4.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.903 . . . . 0.0 109.441 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.97 127.42 32.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.467 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' VAL . . . -73.14 -143.0 0.56 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 138' ' ' GLY . 31.4 m 35.27 42.34 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.954 -0.733 . . . . 0.0 110.846 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 136' ' ' VAL . . . 62.16 -73.38 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.387 -0.821 . . . . 0.0 109.665 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 136' ' ' VAL . . . 86.26 -44.79 3.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.14 -37.12 80.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -1.122 . . . . 0.0 109.503 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.95 123.14 22.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.479 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -73.58 85.02 0.64 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.67 -71.55 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -1.156 . . . . 0.0 109.371 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 16.5 tt -69.51 -31.15 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.19 172.12 18.0 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 147' ' ' HIS . 6.3 mp -77.84 102.45 7.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -1.146 . . . . 0.0 109.246 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -51.11 90.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.882 . . . . 0.0 109.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 7.9 p-80 -53.55 99.73 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.902 . . . . 0.0 109.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -171.25 -48.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.939 . . . . 0.0 109.49 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -62.26 131.12 48.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.449 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -66.22 135.09 53.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.279 -0.888 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.07 -10.1 27.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.451 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -163.83 -42.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.381 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.76 97.5 0.55 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.0 109.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.7 m -92.17 66.48 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.413 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.9 mt -69.95 177.7 3.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLU . 17.2 p-10 -169.0 162.95 11.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -0.916 . . . . 0.0 109.412 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' ASN . 34.9 tt0 60.2 147.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.86 -77.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.173 -0.955 . . . . 0.0 109.674 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.5 t -84.34 142.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.87 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -76.19 130.26 37.97 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.51 -24.62 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.179 -0.951 . . . . 0.0 108.892 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.558 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 mp0 -66.78 -45.84 77.2 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.285 -0.885 . . . . 0.0 109.008 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.93 -35.86 80.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.284 -0.885 . . . . 0.0 110.117 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.03 -49.46 57.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LYS . 60.9 mt -78.33 -31.81 48.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 110.518 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.8 ttpt -54.12 -53.23 56.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.017 -1.052 . . . . 0.0 110.065 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -74.87 -26.95 60.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.986 -1.071 . . . . 0.0 109.638 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.71 -32.42 62.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.8 -48.02 76.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -61.22 -47.81 84.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.242 -0.911 . . . . 0.0 109.033 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -52.95 -35.05 58.27 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.193 -0.942 . . . . 0.0 109.447 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.35 -52.47 13.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.267 -0.895 . . . . 0.0 109.766 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -61.17 -49.39 77.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.853 -1.155 . . . . 0.0 109.591 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 59.4 mt-10 -58.21 -51.2 70.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.209 -0.932 . . . . 0.0 109.088 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -59.0 -40.32 84.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.069 -1.019 . . . . 0.0 108.994 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.68 66.99 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.62 47.97 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.87 9.89 51.05 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.0 t -152.56 158.32 42.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.6 t -140.57 128.36 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.281 -0.887 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.1 p -70.52 139.48 51.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.435 -0.791 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -57.74 -18.2 19.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.407 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -66.55 -48.43 69.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -64.59 -41.78 96.02 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.192 -0.942 . . . . 0.0 109.722 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -56.95 -42.17 79.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.092 -1.005 . . . . 0.0 109.233 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.2 m-85 -71.66 -50.06 34.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.239 -0.913 . . . . 0.0 109.796 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 38.7 mt-10 -71.82 -15.39 62.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.079 -1.013 . . . . 0.0 109.927 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 20.1 t80 -77.75 -35.34 51.88 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.839 -1.163 . . . . 0.0 108.794 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.45 -37.92 65.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.387 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.642 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.44 -53.15 59.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.975 -1.078 . . . . 0.0 108.441 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 4.1 m -53.83 -39.45 65.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 mt -77.75 -45.28 25.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 110.127 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 39' ' ' ALA . 99.6 t -54.17 -24.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.074 -1.016 . . . . 0.0 109.905 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.642 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 30.2 ttm180 -97.23 22.44 8.63 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.535 -0.728 . . . . 0.0 109.319 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 p -94.33 151.54 19.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.958 -1.088 . . . . 0.0 109.352 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -78.81 -4.31 48.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -92.93 138.17 31.72 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -0.912 . . . . 0.0 109.054 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -71.05 -48.98 49.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.782 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -52.3 -36.67 53.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.889 -1.132 . . . . 0.0 110.724 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.19 -32.1 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.972 -1.08 . . . . 0.0 109.366 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -78.48 -39.61 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.927 -1.108 . . . . 0.0 108.781 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -52.13 -54.24 32.98 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.36 -40.34 74.37 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.74 -40.59 64.26 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.63 -56.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 O-C-N 120.762 -1.434 . . . . 0.0 108.962 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 25.3 t -51.63 -51.4 26.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.5 mt -47.96 -49.85 29.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -44.17 43.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.896 -1.128 . . . . 0.0 109.996 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -51.99 -39.95 60.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.996 -1.065 . . . . 0.0 110.224 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 56' ' ' VAL . 1.4 mp0 -72.95 -31.55 64.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.91 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 36' ' ' PHE . 42.0 mt -75.35 -30.54 60.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.95 -1.094 . . . . 0.0 111.041 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -52.38 -55.7 29.32 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 120.73 -1.231 . . . . 0.0 111.25 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.2 Cg_endo -55.43 -28.32 63.15 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 CA-C-N 119.466 0.845 . . . . 0.0 110.262 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -96.42 35.15 1.51 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.167 -0.958 . . . . 0.0 109.845 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.38 -135.37 3.74 Favored Glycine 0 N--CA 1.5 2.931 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 p -147.36 -169.51 3.33 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.329 -1.1 . . . . 0.0 108.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -75.46 -44.43 44.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -73.88 -47.34 38.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.75 -30.92 64.06 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 108.724 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -52.8 -31.72 40.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.65 -52.82 8.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 109.663 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.2 m-85 -60.24 -38.29 82.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.068 -1.02 . . . . 0.0 108.957 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.83 -37.35 59.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.67 -49.0 79.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.726 -0.609 . . . . 0.0 110.564 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -68.28 -37.03 80.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.722 -1.236 . . . . 0.0 110.158 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.4 -45.07 92.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.99 -1.069 . . . . 0.0 109.436 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.32 72.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.144 -0.973 . . . . 0.0 109.343 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.45 -41.3 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 109.773 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.59 -43.58 91.83 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -67.43 -26.54 66.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 0.0 109.56 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -68.94 -32.76 72.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.357 -0.839 . . . . 0.0 109.392 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 34.8 mtt180 -75.3 -45.96 36.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.064 -1.022 . . . . 0.0 109.51 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 86' ' ' GLU . 36.9 mt -65.94 28.59 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 110.522 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 44.3 mttm 55.07 4.41 0.08 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.894 -1.129 . . . . 0.0 109.767 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 84' ' ' LEU . 92.5 mt-10 -82.01 83.72 7.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -0.961 . . . . 0.0 108.989 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -78.95 -37.2 40.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.332 -0.855 . . . . 0.0 109.742 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.65 -50.87 72.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.948 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.15 -42.84 75.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 109.563 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.37 86.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.583 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -70.55 -19.41 62.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.007 . . . . 0.0 109.078 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' HH21 ' A' ' 95' ' ' ARG . 59.7 tttp -75.65 -37.46 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.981 -1.074 . . . . 0.0 108.441 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -75.89 -37.74 58.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.656 -0.653 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -32.6 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.146 -0.972 . . . . 0.0 110.959 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 91' ' ' LEU . 52.5 mtm180 -71.64 -48.77 45.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.618 -1.301 . . . . 0.0 110.16 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.27 73.59 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 100' ' ' THR . 9.5 tp -58.0 -45.74 86.35 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.609 -0.936 . . . . 0.0 108.53 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.34 -35.33 77.62 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.919 -1.113 . . . . 0.0 109.996 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -49.56 -32.95 13.65 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 75.6 p -76.47 -48.35 19.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.468 -0.77 . . . . 0.0 109.001 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -131.73 76.01 75.21 Favored Pre-proline 0 N--CA 1.497 1.876 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.6 -19.65 38.19 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.302 1.334 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -79.74 5.8 12.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 0.0 109.663 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -80.23 106.42 12.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.122 -0.986 . . . . 0.0 109.493 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' OE2' ' A' ' 109' ' ' GLU . 12.7 p-10 -74.76 -36.84 62.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.0 109.854 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -56.15 -43.41 78.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 109.818 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.89 76.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.167 -0.958 . . . . 0.0 109.578 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.25 -38.73 92.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.782 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -62.33 -55.1 31.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.137 -0.977 . . . . 0.0 109.427 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.2 -42.7 51.89 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.556 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.019 -1.05 . . . . 0.0 108.959 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.88 -46.06 59.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.374 -0.829 . . . . 0.0 109.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.1 mt -57.22 -46.9 82.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.179 -0.951 . . . . 0.0 109.151 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.583 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.5 mt -63.26 -51.18 74.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.576 -0.702 . . . . 0.0 109.7 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.49 -37.61 65.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.841 . . . . 0.0 109.905 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.73 -52.71 64.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.044 -1.035 . . . . 0.0 109.915 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.9 75.19 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.0 mtp -49.27 -47.33 46.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.552 -0.717 . . . . 0.0 110.31 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -63.68 -30.25 71.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.678 -1.264 . . . . 0.0 109.281 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 122' ' ' GLY . 51.9 mtpt -79.0 -72.38 0.39 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.367 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -68.29 8.92 0.38 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.336 -0.852 . . . . 0.0 109.522 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -67.26 109.67 3.04 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 120.76 7.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 0.0 109.328 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 125' ' ' GLY . 6.2 p -69.55 162.37 3.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.551 ' N ' HG22 ' A' ' 124' ' ' VAL . . . -50.32 130.04 29.02 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 125' ' ' GLY . 64.0 mtt -51.97 -96.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -1.16 . . . . 0.0 109.059 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.13 132.61 37.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 109.067 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 128' ' ' ILE . 17.4 mm -139.91 158.96 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 131' ' ' GLY . 61.7 t -149.15 110.16 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.27 -0.894 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 74.29 -23.59 1.18 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 84.88 -129.03 9.0 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.1 tpt 54.4 97.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -1.173 . . . . 0.0 109.451 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.04 25.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.185 0.993 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.04 97.77 2.94 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.44 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 179.25 -66.02 0.08 OUTLIER Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.1 -11.45 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -1.127 . . . . 0.0 109.468 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.33 -16.27 63.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 0.0 109.454 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.78 76.78 0.28 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -70.7 -48.59 53.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -1.138 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.5 -94.14 0.15 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 168.36 76.59 0.04 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.88 -171.31 0.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.278 -1.131 . . . . 0.0 109.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 2.5 pp -68.04 1.23 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 169.23 163.38 23.17 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -154.59 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -1.162 . . . . 0.0 109.39 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.32 3.46 51.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.857 . . . . 0.0 109.404 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 148' ' ' HIS . 50.3 m-70 51.85 54.9 10.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.437 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 147' ' ' HIS . 2.4 t60 55.31 103.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.441 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -52.79 -56.53 15.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.481 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 151' ' ' HIS . 6.9 t60 -53.38 134.24 40.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 150' ' ' HIS . 48.8 m-70 50.5 -177.63 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.259 -0.9 . . . . 0.0 109.532 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.467 ' HD1' ' C ' ' A' ' 152' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.462 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.249 0.547 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -63.1 137.98 58.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.287 -0.883 . . . . 0.0 108.924 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.07 -27.14 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 109.168 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.06 -46.91 69.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 108.967 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.65 -37.84 88.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.361 -0.837 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -49.3 56.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.1 -1.0 . . . . 0.0 109.524 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.2 -29.89 61.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.919 -1.113 . . . . 0.0 109.423 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -50.83 -53.69 30.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 108.881 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.36 -25.15 64.04 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.153 -0.967 . . . . 0.0 108.744 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.25 -35.82 74.05 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.52 -48.56 71.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -58.76 -48.82 79.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.371 -0.831 . . . . 0.0 108.957 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.78 -34.06 57.88 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -53.17 11.67 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.843 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -58.74 -50.07 75.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.757 -1.214 . . . . 0.0 109.883 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 29' ' ' SER . 69.0 mt-10 -58.25 -51.93 67.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.085 -1.009 . . . . 0.0 108.95 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -58.19 -39.16 78.21 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.0 109.163 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.94 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.26 -14.75 28.56 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.98 10.71 45.23 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -154.55 158.6 40.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.444 -1.033 . . . . 0.0 109.185 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.18 126.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.332 -0.855 . . . . 0.0 109.371 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -70.51 139.75 51.68 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.433 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -56.74 -30.22 63.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.194 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -54.38 -49.43 69.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.3 m -66.49 -39.89 88.96 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -58.38 -38.86 78.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 109.253 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 24.6 m-85 -71.63 -50.37 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.365 -0.835 . . . . 0.0 110.177 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -72.03 -15.01 62.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.134 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.6 t80 -78.82 -34.73 45.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.752 -1.218 . . . . 0.0 109.075 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.02 -38.3 66.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.145 -0.972 . . . . 0.0 109.175 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.656 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.19 -52.44 63.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.092 . . . . 0.0 108.24 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 m -53.51 -39.86 64.95 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.554 -0.716 . . . . 0.0 109.688 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 13.3 mt -77.44 -43.65 31.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.054 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' ALA . 89.0 t -53.84 -20.12 3.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 O-C-N 120.964 -1.085 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 36.8 mtm180 -112.0 29.17 8.1 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 p -83.42 159.33 21.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 0.0 109.651 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -79.96 -6.69 57.99 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.377 -0.827 . . . . 0.0 109.102 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -106.2 142.2 36.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.22 -48.63 50.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.918 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -51.8 -31.32 26.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.923 -1.111 . . . . 0.0 110.525 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.79 -29.84 70.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.096 . . . . 0.0 108.861 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -78.59 -40.62 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.898 . . . . 0.0 108.579 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.0 mtt180 -54.55 -31.4 56.48 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -83.82 -40.88 18.15 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.92 79.0 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.15 -42.03 58.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.266 -1.137 . . . . 0.0 108.99 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.9 t -64.9 -45.0 96.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.55 -50.08 43.56 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.631 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.6 mt -71.31 -41.41 69.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.65 -41.7 55.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.019 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.42 -28.71 62.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 mt -76.3 -31.13 58.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.171 -0.955 . . . . 0.0 110.829 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 5.6 mp -52.43 -55.77 28.82 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.709 -1.245 . . . . 0.0 111.063 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -58.06 -25.55 71.29 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -85.36 -13.32 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.386 -0.821 . . . . 0.0 110.188 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.56 157.05 19.4 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.1 m -70.63 -165.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -1.092 . . . . 0.0 109.177 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -74.41 -37.94 63.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.028 -1.045 . . . . 0.0 109.736 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -71.85 -48.96 42.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.09 -30.53 62.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 109.035 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 74' ' ' VAL . 31.8 mt-30 -72.34 -40.27 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.184 -0.948 . . . . 0.0 109.115 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 53.7 mtm180 -51.67 -34.2 37.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.39 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.44 -51.87 10.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.085 -1.009 . . . . 0.0 109.536 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.2 m-85 -63.1 -35.6 80.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 109.392 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 70' ' ' GLN . 26.2 t -58.59 -40.19 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 108.468 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.43 -43.21 93.15 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.792 -0.568 . . . . 0.0 110.587 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.804 -1.185 . . . . 0.0 110.417 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.54 -44.71 95.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 109.871 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.57 -33.27 73.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.2 t -75.75 -37.26 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.98 . . . . 0.0 110.063 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.24 -42.72 65.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -76.38 -29.6 57.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.159 -1.201 . . . . 0.0 109.547 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.83 -44.0 86.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.53 ' C ' ' H ' ' A' ' 85' ' ' LYS . 15.9 ptm180 -75.16 -36.38 61.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 110.445 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' GLU . 95.0 mt -67.52 32.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.721 -1.237 . . . . 0.0 110.46 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 83' ' ' ARG . 74.3 tttt 64.91 -37.56 0.22 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.224 -0.923 . . . . 0.0 110.338 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.5 95.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.738 -1.226 . . . . 0.0 108.687 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' LYS . 65.0 m-85 -84.15 -41.84 16.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 0.0 110.557 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -43.78 75.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.925 . . . . 0.0 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -54.11 -49.41 69.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.947 -1.096 . . . . 0.0 109.133 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.66 67.74 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 91' ' ' LEU . 14.3 tp -70.19 -23.9 63.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.499 -0.751 . . . . 0.0 109.637 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -77.61 -35.69 52.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -74.79 -39.87 61.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.652 -0.655 . . . . 0.0 109.644 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.28 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 110.278 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -72.46 -48.11 43.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.611 -1.306 . . . . 0.0 109.615 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.7 78.63 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.0 tp -58.73 -37.32 75.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.621 -0.929 . . . . 0.0 108.776 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 107' ' ' ALA . 78.9 mt -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.738 -1.226 . . . . 0.0 109.402 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -53.32 -24.3 11.52 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 35.6 p -95.33 -48.3 5.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 45.3 mt-10 -129.49 77.94 76.43 Favored Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.87 -0.519 . . . . 0.0 110.166 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.08 -25.58 65.94 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.341 1.361 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.7 3.42 5.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -82.47 105.43 13.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.139 -0.976 . . . . 0.0 109.513 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.705 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -73.39 -42.59 61.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.94 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -56.46 -29.36 61.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.22 -27.72 42.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 109.019 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -74.96 -50.28 17.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.845 . . . . 0.0 109.72 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.46 -37.99 73.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 109.296 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.75 -40.79 98.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.052 -1.03 . . . . 0.0 108.702 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.01 -34.47 70.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.087 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' LYS . 94.2 mtt180 -63.31 -49.25 74.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.492 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.01 -51.71 68.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.227 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -57.02 -53.01 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.342 -0.849 . . . . 0.0 110.004 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.45 -37.56 74.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.215 -0.928 . . . . 0.0 109.918 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 112' ' ' ARG . 50.1 tttm -68.77 -39.79 80.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.181 -0.949 . . . . 0.0 110.087 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.14 70.78 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.947 -1.095 . . . . 0.0 108.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 31.5 mtm -51.19 -40.8 59.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.223 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.511 0 O-C-N 120.587 -1.321 . . . . 0.0 109.195 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.494 1.738 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 t -79.02 140.6 37.92 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.237 -0.914 . . . . 0.0 108.907 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.14 -23.58 13.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.83 -45.84 66.95 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.427 ' HA ' ' HZ3' ' A' ' 16' ' ' LYS . 6.2 m-20 -65.94 -49.31 68.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.4 -0.813 . . . . 0.0 110.418 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.21 90.49 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.966 -1.084 . . . . 0.0 109.954 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.12 -33.92 59.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.79 -1.194 . . . . 0.0 109.486 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.74 -44.44 77.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.863 -1.148 . . . . 0.0 108.257 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.1 m-85 -71.86 -28.97 63.89 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.49 -36.93 71.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -55.9 -43.29 77.13 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.0 -48.76 64.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.245 -0.91 . . . . 0.0 108.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.58 -42.53 71.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.313 -0.867 . . . . 0.0 108.886 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.35 -50.4 32.62 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.486 -0.759 . . . . 0.0 109.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.4 m -61.11 -40.77 95.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.797 -1.189 . . . . 0.0 109.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.54 -46.75 83.51 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.477 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -57.16 -41.24 78.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.004 -1.06 . . . . 0.0 108.78 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.36 72.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -17.62 18.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.69 13.92 57.46 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 108.931 -1.667 . . . . 0.0 108.931 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 m -157.79 154.78 28.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.04 . . . . 0.0 109.638 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.88 128.47 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.458 -0.776 . . . . 0.0 109.581 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.71 146.91 30.83 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -58.86 -25.77 63.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.509 -0.744 . . . . 0.0 109.525 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -49.79 75.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.353 -0.842 . . . . 0.0 110.319 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -65.47 -43.92 88.79 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.989 -1.069 . . . . 0.0 109.677 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.658 ' HB3' HD11 ' A' ' 61' ' ' LEU . 41.5 mt-30 -52.16 -43.31 64.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 49.4 m-85 -71.09 -49.18 47.24 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 109.763 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 61.4 mt-10 -58.71 -30.47 67.46 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.677 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.532 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.7 t80 -88.31 -27.35 21.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.134 -0.978 . . . . 0.0 110.391 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.43 15.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.785 -1.197 . . . . 0.0 109.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 6.9 p-90 -59.53 -37.28 77.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.698 -1.252 . . . . 0.0 108.548 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 55.1 m -55.59 -34.27 64.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.786 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 14.1 mt -79.46 -58.62 3.11 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.046 -1.034 . . . . 0.0 111.919 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 m -54.84 -17.52 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.861 -1.149 . . . . 0.0 110.187 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -94.58 21.18 7.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 109.264 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -101.49 -162.82 0.96 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.211 -0.931 . . . . 0.0 109.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -121.47 0.64 10.01 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -95.22 116.44 28.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.302 -0.873 . . . . 0.0 109.125 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.4 -49.03 62.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 110.133 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -51.53 -31.77 25.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.974 -1.079 . . . . 0.0 110.338 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.53 -30.59 63.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.969 -1.082 . . . . 0.0 109.463 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.12 -45.46 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.945 -1.097 . . . . 0.0 108.903 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -54.27 -54.13 44.29 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -68.15 -34.76 76.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.509 -0.744 . . . . 0.0 109.054 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.36 95.57 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.75 -39.76 84.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 120.988 -1.301 . . . . 0.0 108.835 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.55 -45.64 96.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.33 -45.85 46.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.772 -0.58 . . . . 0.0 109.975 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -41.37 60.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.721 -1.237 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -52.0 -41.86 62.53 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 110.211 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -73.03 -30.08 63.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.134 -0.978 . . . . 0.0 109.789 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 35' ' ' GLN . 83.0 mt -75.0 -30.52 61.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 110.939 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -53.02 -56.38 24.27 Favored Pre-proline 0 N--CA 1.486 1.338 0 O-C-N 120.793 -1.192 . . . . 0.0 111.202 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.5 Cg_endo -58.92 -31.27 95.18 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.651 0.901 . . . . 0.0 110.203 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -76.17 -20.67 57.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.109 -0.994 . . . . 0.0 110.193 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.05 156.27 21.3 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.9 p -64.8 -166.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -1.194 . . . . 0.0 109.171 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -74.54 -35.92 63.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.979 -1.075 . . . . 0.0 109.065 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 71' ' ' ARG . 13.6 tp10 -71.33 -47.39 56.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.128 -0.983 . . . . 0.0 108.887 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 52.0 mt-10 -56.12 -28.25 57.11 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.39 -0.819 . . . . 0.0 109.173 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -72.03 -45.75 59.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.277 -0.889 . . . . 0.0 109.456 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.54 ' NH1' ' CG ' ' A' ' 101' ' ' GLU . 33.1 mtm180 -51.26 -33.49 28.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.107 -0.995 . . . . 0.0 109.767 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.54 -51.54 16.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.925 -1.109 . . . . 0.0 109.237 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.8 m-85 -62.6 -29.52 70.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 0.0 109.051 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.65 -42.86 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -58.85 -45.02 91.1 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.85 -0.531 . . . . 0.0 110.217 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -65.83 -39.76 91.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.735 -1.228 . . . . 0.0 109.799 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.28 -45.13 94.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 109.497 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.53 63.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.111 -0.993 . . . . 0.0 109.043 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.2 -42.33 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.38 -0.825 . . . . 0.0 109.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.04 -41.52 95.11 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -68.78 -29.54 67.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.088 -1.242 . . . . 0.0 109.475 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.34 -30.04 70.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 108.917 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 85' ' ' LYS . 21.5 mmt180 -70.64 -45.33 65.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.28 -0.887 . . . . 0.0 109.775 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 86' ' ' GLU . 80.4 mt -70.91 29.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 83' ' ' ARG . 35.3 mttp 55.52 2.59 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 110.094 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 84' ' ' LEU . 55.7 mt-10 -74.16 92.34 2.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.947 -1.096 . . . . 0.0 108.97 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -83.74 -31.62 25.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.914 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -72.54 -48.73 37.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.747 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -66.99 -40.67 87.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.182 -0.949 . . . . 0.0 109.919 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.05 74.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.953 -1.092 . . . . 0.0 109.438 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 114' ' ' ILE . 3.8 mp -76.01 -18.35 59.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.234 -0.916 . . . . 0.0 109.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.17 -36.8 69.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.453 -1.405 . . . . 0.0 107.579 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -77.93 -43.68 29.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.8 -0.562 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.23 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.239 -0.913 . . . . 0.0 110.844 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 20.9 mmm180 -70.05 -45.66 66.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.25 -1.531 . . . . 0.0 109.241 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.88 73.38 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 100' ' ' THR . 20.0 tp -59.67 -39.4 84.35 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.496 -1.002 . . . . 0.0 108.964 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 107' ' ' ALA . 62.3 mt -75.7 -38.47 58.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.117 . . . . 0.0 109.612 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -52.28 -24.2 7.02 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 17.3 p -96.99 -43.51 7.41 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' CG ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -131.4 76.75 75.09 Favored Pre-proline 0 N--CA 1.501 2.096 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -9.85 26.58 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.47 1.447 . . . . 0.0 109.571 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.92 -6.5 58.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -74.87 97.94 3.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.013 -1.054 . . . . 0.0 109.742 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.42 -41.39 84.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.672 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -56.8 -28.09 60.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.94 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -30.24 48.05 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.109 -0.994 . . . . 0.0 109.086 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.12 -51.22 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.873 . . . . 0.0 109.726 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.0 -32.43 67.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.143 -0.973 . . . . 0.0 109.086 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.36 -42.86 99.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 108.697 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.98 -36.22 82.81 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.821 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -55.53 -45.63 77.15 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.438 -0.789 . . . . 0.0 109.637 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -57.49 -42.93 83.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 91' ' ' LEU . 74.2 mt -71.59 -49.78 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.86 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.57 -49.37 70.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 110.072 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -56.91 -48.38 78.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.101 -0.999 . . . . 0.0 110.258 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.12 77.33 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.056 -1.028 . . . . 0.0 108.484 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 23.5 mtp -47.78 -47.47 30.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.641 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 N--CA 1.492 1.666 0 O-C-N 120.53 -1.356 . . . . 0.0 109.08 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.427 ' OG ' ' OD1' ' A' ' 13' ' ' ASP . 88.1 p -64.91 134.02 53.09 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.222 -0.924 . . . . 0.0 108.883 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.66 -25.36 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.137 -0.977 . . . . 0.0 109.026 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 38.0 mm-40 -70.71 -47.76 58.09 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.09 -1.007 . . . . 0.0 109.012 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.8 m-20 -67.96 -33.74 75.24 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.202 -0.936 . . . . 0.0 109.546 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.1 tm? -72.44 -49.47 33.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.138 -0.976 . . . . 0.0 109.328 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LYS . 89.8 mt -76.62 -28.52 56.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.891 -1.131 . . . . 0.0 110.233 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -58.72 -46.36 87.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.835 -1.166 . . . . 0.0 109.365 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.06 -28.96 62.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.759 -1.213 . . . . 0.0 108.614 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.42 -31.27 57.81 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . 17.9 tptm -55.63 -47.82 75.96 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' OG1' ' A' ' 34' ' ' THR . 3.7 mtmp? -60.6 -43.63 97.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.019 -1.05 . . . . 0.0 108.859 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.95 -34.56 56.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.321 -0.862 . . . . 0.0 109.507 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -73.79 -53.41 10.33 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -57.59 -49.77 75.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.787 -1.196 . . . . 0.0 109.892 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 81.6 mt-10 -57.8 -51.73 68.37 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.156 -0.965 . . . . 0.0 108.73 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -57.47 -40.86 79.47 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.2 -0.938 . . . . 0.0 109.055 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.94 70.52 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.76 -15.37 28.77 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.65 10.68 49.59 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -150.41 158.9 44.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.442 -1.034 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -139.69 126.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -81.41 140.44 34.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -56.32 -27.29 55.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.513 -0.742 . . . . 0.0 109.257 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.7 p -54.3 -43.29 70.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.897 . . . . 0.0 109.701 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.527 ' OG1' ' NZ ' ' A' ' 20' ' ' LYS . 52.7 m -82.61 -48.2 11.23 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.171 -0.956 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -53.1 -46.31 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.152 -0.967 . . . . 0.0 109.328 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t80 -71.06 -48.68 51.32 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.514 -0.741 . . . . 0.0 110.071 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -71.38 -14.6 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.476 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -77.05 -35.99 56.38 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.273 -0.892 . . . . 0.0 108.865 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.16 -39.74 71.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.185 -0.947 . . . . 0.0 109.098 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.14 -48.32 68.02 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.68 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.49 -41.71 69.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.712 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.476 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.6 mt -78.59 -39.7 36.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.107 -0.996 . . . . 0.0 110.948 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 39' ' ' ALA . 87.2 t -52.72 -23.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.878 -1.139 . . . . 0.0 109.536 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.3 OUTLIER -101.88 22.69 12.57 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.2 t -82.92 165.49 19.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.036 -1.04 . . . . 0.0 109.635 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -90.38 1.16 56.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.253 -0.904 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -108.93 145.18 35.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.436 -0.79 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -70.71 -48.24 55.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.911 . . . . 0.0 110.223 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 36.4 p-10 -52.05 -34.76 44.85 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.99 -1.069 . . . . 0.0 110.56 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 6.0 m-20 -68.0 -32.71 73.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.87 -1.144 . . . . 0.0 109.14 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.8 mt -78.48 -45.04 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.83 -1.169 . . . . 0.0 108.562 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -53.99 -54.33 40.61 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -55.32 -47.9 74.96 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.12 -36.69 91.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.02 -40.01 75.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 121.124 -1.221 . . . . 0.0 108.87 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.26 -47.95 85.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.06 -50.4 36.76 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.76 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -69.17 -42.71 75.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.873 -1.142 . . . . 0.0 110.111 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.72 -37.29 50.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.903 -1.123 . . . . 0.0 109.785 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -74.4 -29.23 61.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 109.734 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.93 -30.79 58.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.263 -0.898 . . . . 0.0 110.819 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -53.57 -55.71 32.26 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 120.758 -1.214 . . . . 0.0 111.1 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -51.73 -28.36 29.82 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 N-CA-C 109.606 -0.959 . . . . 0.0 109.606 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.1 7.14 47.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.859 . . . . 0.0 108.962 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.78 149.41 18.51 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 t -64.52 -175.94 0.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.273 . . . . 0.0 108.661 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -76.08 -46.89 26.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.689 -1.257 . . . . 0.0 109.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.32 -44.48 68.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.94 -32.56 67.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.476 -0.765 . . . . 0.0 109.004 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -69.52 -38.98 77.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.126 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CZ ' ' OE2' ' A' ' 101' ' ' GLU . 39.4 mtm180 -52.55 -39.62 61.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.027 . . . . 0.0 109.254 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.07 -45.18 58.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.049 -1.032 . . . . 0.0 108.491 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 7.3 m-30 -57.25 -40.42 77.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.23 -35.33 48.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.677 -0.639 . . . . 0.0 110.82 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -68.72 -39.32 80.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.522 -1.361 . . . . 0.0 110.197 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.62 -44.65 96.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.104 -0.997 . . . . 0.0 109.764 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.45 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 0.0 109.269 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.76 -39.46 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.12 -42.31 84.54 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -65.7 -27.33 68.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -1.127 . . . . 0.0 109.548 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -74.23 -29.38 61.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.882 . . . . 0.0 108.904 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -67.66 -46.45 72.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 0.0 109.554 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 51.8 mt -69.21 20.69 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.232 -0.918 . . . . 0.0 110.144 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER 65.53 -8.31 0.29 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 109.556 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -67.45 97.66 0.59 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.053 -1.029 . . . . 0.0 109.192 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.36 -36.45 22.49 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 0.0 109.768 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 23.0 mp0 -64.87 -50.12 67.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -0.932 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.68 71.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.0 109.801 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -55.87 -18.57 9.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 108.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -74.48 -41.72 60.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.975 -1.078 . . . . 0.0 108.382 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -75.88 -35.26 59.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.547 -0.72 . . . . 0.0 110.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.09 -33.18 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.109 -0.994 . . . . 0.0 110.337 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.69 -46.59 62.87 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.401 -1.437 . . . . 0.0 109.086 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.01 -28.95 74.08 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.49 ' O ' ' OG1' ' A' ' 100' ' ' THR . 22.2 tp -60.65 -36.97 80.01 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.541 -0.976 . . . . 0.0 108.833 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 107' ' ' ALA . 74.3 mt -75.83 -34.64 60.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.186 . . . . 0.0 109.132 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.85 -24.93 17.41 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 41.5 p -94.48 -48.22 6.21 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.473 ' OE2' ' CZ ' ' A' ' 71' ' ' ARG . 48.0 mt-10 -128.44 77.33 77.34 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.792 -0.568 . . . . 0.0 110.056 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.94 -24.54 53.09 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.287 1.325 . . . . 0.0 109.604 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.45 0.4 22.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 0.0 109.62 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 6.7 t-20 -80.84 107.16 13.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -75.23 -38.33 60.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.824 . . . . 0.0 109.896 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.595 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 3.1 mp0 -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.58 -28.37 45.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.085 -1.01 . . . . 0.0 109.107 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.43 -50.85 16.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.79 -31.93 67.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.127 -0.983 . . . . 0.0 109.13 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.61 -42.65 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 108.931 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.39 -28.67 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.586 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -67.04 -42.53 84.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 0.0 109.881 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.23 -46.88 82.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.0 mt -67.99 -52.62 37.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.608 -0.683 . . . . 0.0 109.688 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.79 -44.54 82.0 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.33 -0.856 . . . . 0.0 109.853 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 -52.55 64.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.04 78.29 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 22.3 ttm -49.46 -46.89 48.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.544 -0.722 . . . . 0.0 110.697 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.35 . . . . 0.0 109.204 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 14' ' ' LEU . 23.3 t . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.8 p -59.55 139.54 57.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.213 -0.929 . . . . 0.0 108.916 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.55 -28.05 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 108.982 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 59.6 mt-10 -65.93 -45.72 80.81 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.049 -1.032 . . . . 0.0 109.464 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.61 -45.34 87.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.852 . . . . 0.0 110.581 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 9' ' ' VAL . 4.3 mt -65.03 -44.72 88.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.742 -1.224 . . . . 0.0 109.808 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.46 -33.58 48.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.741 -1.224 . . . . 0.0 110.008 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 29.8 ttpt -56.14 -52.31 64.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.025 -1.047 . . . . 0.0 109.535 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.66 -26.96 60.21 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.167 -0.958 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.24 -36.69 74.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' NZ ' ' OG ' ' A' ' 23' ' ' SER . 3.8 tptp -54.36 -47.94 72.02 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -57.74 -49.58 76.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.204 -0.935 . . . . 0.0 109.041 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -53.98 -33.75 57.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.4 -0.812 . . . . 0.0 109.093 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -74.27 -52.8 11.23 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.299 -0.876 . . . . 0.0 109.937 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.459 ' OG ' ' NZ ' ' A' ' 19' ' ' LYS . 10.2 m -62.58 -50.91 69.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.587 -1.32 . . . . 0.0 110.421 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' SER . 63.6 mt-10 -58.37 -38.95 78.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.044 -1.035 . . . . 0.0 108.968 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -69.83 -40.53 75.79 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.72 70.97 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -14.86 27.28 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 14.92 55.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' GLU . 54.9 m -153.7 123.54 6.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.266 -1.138 . . . . 0.0 109.727 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.87 123.8 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.503 -0.748 . . . . 0.0 109.738 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -72.58 140.07 47.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.45 -0.781 . . . . 0.0 109.363 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -56.9 -28.64 62.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.188 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' OE1' ' A' ' 37' ' ' GLU . 97.8 p -54.95 -48.49 73.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.865 . . . . 0.0 109.48 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 24' ' ' GLU . 6.0 m -63.8 -46.64 84.25 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.165 -0.96 . . . . 0.0 109.189 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.02 -39.3 66.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 20.6 m-85 -66.65 -52.38 45.63 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.179 -0.95 . . . . 0.0 110.718 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 33' ' ' SER . 1.5 mp0 -72.42 -14.74 61.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.024 -1.047 . . . . 0.0 110.115 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 42' ' ' LEU . 50.3 t80 -77.58 -34.61 53.58 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.977 -1.077 . . . . 0.0 108.977 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.89 -36.17 67.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.278 -0.889 . . . . 0.0 109.117 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.687 ' HE1' ' NH2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -56.44 -53.02 62.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.997 -1.064 . . . . 0.0 108.396 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.8 m -53.86 -40.9 66.93 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.631 -0.668 . . . . 0.0 110.196 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 38' ' ' TYR . 18.7 mt -76.55 -38.43 55.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 39' ' ' ALA . 71.3 t -53.0 -19.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.116 -0.99 . . . . 0.0 108.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.687 ' NH2' ' HE1' ' A' ' 40' ' ' TRP . 50.1 mtm180 -119.09 16.67 13.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.025 -0.422 . . . . 0.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 47' ' ' TYR . 2.3 m -73.59 16.03 0.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.761 -1.212 . . . . 0.0 110.728 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 60.58 -35.65 0.08 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.249 -0.907 . . . . 0.0 111.392 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 45' ' ' SER . 69.8 m-85 -79.08 142.31 36.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.618 -1.301 . . . . 0.0 109.42 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 49' ' ' ASP . 2.7 p-10 -70.71 -47.0 62.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.289 -0.882 . . . . 0.0 110.188 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 36.2 t70 -52.34 -39.47 60.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 110.747 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.59 -31.2 63.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.82 -1.175 . . . . 0.0 109.376 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.48 -43.51 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.935 -1.103 . . . . 0.0 108.75 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -51.77 -44.12 63.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -64.39 -38.86 92.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.81 69.4 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.37 -54.85 27.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 120.984 -1.303 . . . . 0.0 108.424 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 56' ' ' VAL . 27.9 t -53.24 -51.05 43.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.5 mt -48.88 -47.65 42.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.402 -0.811 . . . . 0.0 109.816 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.25 -43.69 40.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.694 -1.254 . . . . 0.0 110.29 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -52.53 -41.65 63.66 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.772 -1.205 . . . . 0.0 110.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.31 -31.59 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.0 109.695 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 36' ' ' PHE . 80.9 mt -76.02 -30.83 58.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.233 -0.917 . . . . 0.0 111.247 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.8 mp -51.75 -55.06 33.34 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 120.728 -1.233 . . . . 0.0 111.374 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.2 Cg_exo -54.08 -25.26 36.29 Favored 'Trans proline' 0 C--N 1.321 -0.877 0 CA-C-N 119.396 0.82 . . . . 0.0 110.12 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.57 49.48 0.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.302 -0.874 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 157.92 27.5 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -76.06 -170.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 0.0 109.319 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.3 -38.3 65.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.024 -1.048 . . . . 0.0 109.575 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.97 -42.24 63.53 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.64 -39.26 73.37 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 74' ' ' VAL . 80.6 mt-30 -64.52 -45.45 87.16 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.852 . . . . 0.0 109.511 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -50.05 -31.72 13.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.008 -1.058 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -76.5 -41.19 47.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.903 -1.123 . . . . 0.0 109.234 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m-85 -73.54 -39.49 64.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.888 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 74.8 t -57.77 -33.39 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -65.94 -48.56 70.97 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.479 -0.763 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.35 -39.94 89.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.835 -1.165 . . . . 0.0 110.179 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.16 -24.47 66.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.365 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.78 -34.56 60.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.142 -0.973 . . . . 0.0 109.12 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.59 -35.86 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.686 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.93 -44.34 94.7 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -67.99 -29.19 68.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.178 -1.189 . . . . 0.0 109.754 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -62.65 -38.75 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 85' ' ' LYS . 70.5 mtt180 -75.25 -43.59 50.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.996 -1.065 . . . . 0.0 110.049 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' GLU . 73.5 mt -64.13 29.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.904 -1.122 . . . . 0.0 110.621 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 83' ' ' ARG . 19.2 mtpp 63.2 -34.11 0.13 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.131 -0.981 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.06 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.649 -1.282 . . . . 0.0 108.825 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 58.5 m-85 -84.59 -38.67 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.386 -0.821 . . . . 0.0 110.307 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.86 -47.46 68.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.077 -1.015 . . . . 0.0 110.888 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -55.44 -52.53 63.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.834 -1.166 . . . . 0.0 109.788 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.77 55.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 108.671 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 114' ' ' ILE . 6.3 tp -75.82 -19.4 58.96 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.7 -46.88 18.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.513 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -65.65 -48.94 70.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -0.853 . . . . 0.0 110.197 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.01 -39.86 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.935 . . . . 0.0 109.785 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -57.14 -34.73 68.7 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.708 -1.245 . . . . 0.0 108.065 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.87 95.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 2.7 mm? -57.32 -39.07 75.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.225 -1.162 . . . . 0.0 108.969 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ALA . 10.4 mt -76.36 -50.01 15.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.142 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -54.49 -16.55 2.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.791 -1.193 . . . . 0.0 107.786 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.5 p -103.46 -48.7 3.9 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.625 0.726 . . . . 0.0 109.207 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' LEU . 69.0 mm-40 -138.35 83.24 21.76 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.834 -0.541 . . . . 0.0 109.941 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 5.1 Cg_exo -61.26 -15.58 41.08 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.053 1.169 . . . . 0.0 109.432 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -82.09 -2.73 52.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.431 -0.793 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -82.52 106.26 14.24 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -74.6 -31.51 62.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.0 109.904 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.86 -32.6 65.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.92 -27.77 43.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 108.903 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 88.3 mttt -75.3 -50.6 15.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.849 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.61 -34.64 69.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.129 -0.982 . . . . 0.0 109.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.37 -44.48 91.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 108.719 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.532 ' HG3' HD11 ' A' ' 91' ' ' LEU . 27.6 tt0 -57.17 -33.64 67.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 108.465 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.23 -50.78 70.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.48 -0.762 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.45 -46.8 83.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 91' ' ' LEU . 67.7 mt -63.14 -42.3 96.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.532 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -72.71 -45.06 60.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.905 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -56.92 -38.56 73.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.674 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.68 76.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 108.418 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.2 mtt -46.96 -48.32 21.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 109.918 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.547 -1.346 . . . . 0.0 109.239 179.613 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.333 0.587 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 145.78 53.2 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.24 -28.46 14.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.074 -1.016 . . . . 0.0 108.672 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 14.5 mm-40 -66.61 -44.81 81.06 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.44 -46.52 79.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -44.0 95.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.937 -1.102 . . . . 0.0 109.932 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.45 -37.53 51.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.929 -1.107 . . . . 0.0 109.451 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' NZ ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.97 -46.73 75.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.966 . . . . 0.0 109.023 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 19.5 m-85 -74.85 -27.9 60.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.098 -1.001 . . . . 0.0 108.822 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.34 -37.14 74.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -54.07 -45.87 71.86 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -56.72 -48.01 78.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.018 -1.051 . . . . 0.0 108.435 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.59 -33.41 66.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.245 -0.909 . . . . 0.0 109.233 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -73.1 -52.39 14.43 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.412 -0.805 . . . . 0.0 109.692 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 m -64.65 -47.71 77.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.777 -1.202 . . . . 0.0 109.971 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' SER . 52.1 mm-40 -57.58 -40.41 78.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.121 -0.987 . . . . 0.0 108.891 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -71.22 -37.35 72.05 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.936 . . . . 0.0 108.774 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -41.55 71.26 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -14.96 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.68 16.69 51.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.7 m -156.67 123.41 5.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.441 -1.035 . . . . 0.0 109.514 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.0 121.55 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.536 -0.727 . . . . 0.0 109.523 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -71.69 138.97 48.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.809 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.14 -31.45 65.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.088 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -54.14 -49.13 69.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.485 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.1 m -64.88 -44.67 88.9 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.122 -0.986 . . . . 0.0 109.135 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -55.2 -37.31 66.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 109.517 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 21.9 m-85 -69.85 -51.32 34.48 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.226 -0.921 . . . . 0.0 110.583 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 67.0 mt-10 -72.02 -16.05 62.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.129 -0.982 . . . . 0.0 110.613 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 35.2 t80 -78.91 -34.42 44.66 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 109.108 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.29 69.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.194 -0.941 . . . . 0.0 108.996 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.494 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.9 -52.93 63.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 108.4 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -53.05 -38.9 62.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.137 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 19.3 mt -77.09 -39.78 48.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.915 -1.115 . . . . 0.0 110.35 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 39' ' ' ALA . 88.7 t -53.1 -21.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 O-C-N 121.101 -0.999 . . . . 0.0 109.925 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -117.14 31.02 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.741 -0.599 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 p -85.12 159.26 20.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 109.575 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 45.7 tttp -82.23 34.64 0.42 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.292 -0.88 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 39.7 m-85 -150.64 141.75 23.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.15 -0.969 . . . . 0.0 109.273 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -71.38 -45.78 61.97 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 0.0 110.28 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 35.3 p-10 -50.73 -35.46 31.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.017 -1.052 . . . . 0.0 110.749 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 4.2 m-20 -74.25 -34.3 63.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.931 -1.105 . . . . 0.0 109.436 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -76.96 -52.92 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.823 -1.173 . . . . 0.0 109.581 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -52.61 -25.19 9.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -80.18 -41.92 24.38 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.66 -40.55 96.63 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.64 -42.98 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 O-C-N 120.815 -1.403 . . . . 0.0 108.08 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 52' ' ' ARG . 99.3 t -61.37 -47.88 91.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.117 -0.989 . . . . 0.0 108.552 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 57' ' ' LEU . 34.5 mt -48.5 -48.83 37.85 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.688 -0.632 . . . . 0.0 110.025 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 77' ' ' LEU . 55.1 mt -70.48 -37.74 74.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.773 -1.205 . . . . 0.0 110.087 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.29 -43.45 64.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.063 -1.023 . . . . 0.0 110.212 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -71.97 -29.67 64.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.074 -1.016 . . . . 0.0 109.749 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.51 -30.36 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.125 -0.984 . . . . 0.0 110.936 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.3 mp -52.4 -55.94 27.18 Favored Pre-proline 0 N--CA 1.487 1.399 0 O-C-N 120.772 -1.205 . . . . 0.0 111.247 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 Cg_exo -54.88 -30.29 67.73 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.521 0.814 . . . . 0.0 110.13 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.2 33.53 1.08 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.184 -0.948 . . . . 0.0 109.772 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.57 154.8 23.83 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 44.3 t -71.68 -170.93 0.6 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -1.156 . . . . 0.0 109.247 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -74.58 -39.32 62.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.665 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 8.0 mm-40 -71.15 -48.42 51.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 108.87 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.24 -33.0 64.99 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 0.0 108.842 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 66' ' ' SER . 38.9 mt-30 -67.46 -42.51 82.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 108.878 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' OE2' ' A' ' 68' ' ' GLU . 58.9 mtm180 -52.48 -30.63 31.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.173 -0.954 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -76.26 -51.98 10.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.098 -1.001 . . . . 0.0 109.524 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.1 m-85 -61.91 -30.66 71.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.089 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.2 -39.32 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.07 -43.77 91.79 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.799 -0.563 . . . . 0.0 110.238 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -71.33 -37.49 71.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.851 -1.155 . . . . 0.0 110.101 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 58' ' ' LEU . 78.1 mt -60.94 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.616 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.8 90.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.27 -39.55 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.61 87.75 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -65.62 -26.22 67.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.248 -1.148 . . . . 0.0 109.147 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.76 -30.1 67.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 85' ' ' LYS . 29.4 mmt180 -71.24 -48.44 51.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.478 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 86' ' ' GLU . 47.5 mt -67.71 45.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 109.604 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' ARG . 16.2 ptmt 31.17 31.3 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.207 0.527 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' LEU . 12.3 tp10 -106.39 97.03 6.88 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -85.37 -30.81 23.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.449 -0.782 . . . . 0.0 110.627 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 6.9 mp0 -66.58 -52.46 45.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.145 . . . . 0.0 110.806 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -67.74 -41.25 83.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.887 -1.133 . . . . 0.0 110.209 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.88 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 109.571 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -61.53 -19.71 62.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.09 -1.006 . . . . 0.0 109.035 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -71.1 -39.06 72.34 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.935 -1.103 . . . . 0.0 108.442 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -76.31 -42.0 46.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.637 -0.664 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -32.81 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -71.18 -48.09 53.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.471 -1.393 . . . . 0.0 109.219 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.61 -31.31 80.47 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 21.5 tp -57.96 -38.69 76.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.531 -0.982 . . . . 0.0 108.918 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 107' ' ' ALA . 75.0 mt -75.79 -33.58 60.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.831 -1.168 . . . . 0.0 109.579 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -53.94 -25.16 19.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 43.1 p -94.06 -48.71 6.11 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -130.36 77.69 75.67 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.793 -0.567 . . . . 0.0 110.093 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.424 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 2.3 Cg_endo -65.24 -17.28 58.04 Favored 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.307 1.338 . . . . 0.0 109.711 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -80.7 -2.83 48.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 0.0 109.708 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.05 102.46 5.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -69.98 -41.79 73.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.88 -28.5 56.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.269 -0.894 . . . . 0.0 109.391 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.491 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.56 -30.96 47.16 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.0 109.152 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 84.1 mttt -72.43 -50.82 23.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.907 . . . . 0.0 109.692 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.78 -31.42 68.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.382 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.66 -40.82 97.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -61.13 -34.16 74.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.268 -0.895 . . . . 0.0 109.423 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.67 ' HE ' ' HZ1' ' A' ' 116' ' ' LYS . 50.0 mtp180 -63.37 -43.52 97.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.0 -48.0 79.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.093 -1.005 . . . . 0.0 109.126 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.521 HG21 ' CD1' ' A' ' 91' ' ' LEU . 50.9 mt -66.58 -52.77 42.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.575 -0.703 . . . . 0.0 109.83 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.94 -41.4 78.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HZ1' ' HE ' ' A' ' 112' ' ' ARG . 45.4 mttp -58.26 -51.87 67.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.016 . . . . 0.0 109.727 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.72 -49.56 76.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.6 ttm -47.99 -47.2 33.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.585 -0.697 . . . . 0.0 110.155 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 N--CA 1.492 1.629 0 O-C-N 120.722 -1.236 . . . . 0.0 109.205 179.668 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.269 0.557 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 m -80.51 133.69 35.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.62 -25.77 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 108.896 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 51.7 mt-10 -65.89 -46.62 77.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.232 -0.918 . . . . 0.0 108.952 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -68.04 -34.2 76.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.278 -0.889 . . . . 0.0 109.945 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -68.87 -49.73 55.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.01 . . . . 0.0 109.48 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -78.44 -34.56 47.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.964 . . . . 0.0 110.512 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.5 tmmm? -52.01 -45.34 64.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.008 -1.058 . . . . 0.0 109.271 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.06 -27.39 48.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.1 -1.0 . . . . 0.0 108.845 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -55.31 -47.44 75.6 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.12 -47.96 81.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.049 -1.032 . . . . 0.0 108.76 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.03 -32.72 66.47 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.263 -0.898 . . . . 0.0 109.2 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -73.19 -52.3 14.64 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.575 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -62.72 -48.82 77.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.789 -1.195 . . . . 0.0 110.039 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' SER . 16.9 mm-40 -57.66 -42.59 83.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.139 -0.976 . . . . 0.0 109.07 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -68.37 -39.91 81.63 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.204 -0.935 . . . . 0.0 108.905 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.15 74.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.16 -15.46 14.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.39 53.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.13 122.72 7.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.435 -1.038 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.52 121.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.717 . . . . 0.0 109.636 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -73.79 137.52 43.94 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.424 -0.798 . . . . 0.0 109.423 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.7 -28.66 61.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -0.892 . . . . 0.0 109.237 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 m -61.8 -49.02 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -67.53 -40.7 85.06 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.171 -0.956 . . . . 0.0 109.242 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -60.98 -45.65 93.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 108.798 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.1 m-85 -65.59 -49.83 67.35 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.525 -0.735 . . . . 0.0 110.449 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 44.5 mt-10 -70.79 -14.91 62.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.933 -1.104 . . . . 0.0 109.748 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 19.3 t80 -78.75 -37.21 41.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.166 -0.959 . . . . 0.0 109.028 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -70.81 -37.69 73.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.106 -0.996 . . . . 0.0 108.887 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -54.14 -51.33 64.62 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 m -53.2 -40.27 64.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.819 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -77.81 -42.15 34.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.026 -1.046 . . . . 0.0 110.403 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 98.7 t -53.28 -21.49 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 O-C-N 121.059 -1.026 . . . . 0.0 109.835 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -107.72 31.01 5.79 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.738 -0.601 . . . . 0.0 109.681 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -96.84 159.93 14.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.991 -1.068 . . . . 0.0 109.282 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -79.53 -9.75 59.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -93.57 138.61 31.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.44 -47.96 58.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.0 110.015 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -32.05 20.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 110.252 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.4 -34.47 77.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.929 -1.107 . . . . 0.0 108.956 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.4 mt -79.68 -47.11 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.869 -1.144 . . . . 0.0 108.466 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.521 HH11 ' HG2' ' A' ' 52' ' ' ARG . 3.0 ttt-85 -55.54 -27.84 51.29 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -83.64 -46.97 11.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.07 91.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.0 mt -65.08 -44.42 95.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.057 -1.26 . . . . 0.0 108.83 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -62.08 -48.35 88.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD22 ' OE1' ' A' ' 35' ' ' GLN . 38.7 mt -49.53 -43.65 45.83 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 120.316 -0.554 . . . . 0.0 109.673 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.36 -45.37 55.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.705 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -52.65 -35.62 55.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.19 -0.944 . . . . 0.0 110.288 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.7 -35.03 65.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.089 -1.007 . . . . 0.0 110.361 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.62 -29.19 56.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.137 -0.977 . . . . 0.0 110.925 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 mp -50.98 -56.03 23.05 Favored Pre-proline 0 N--CA 1.487 1.398 0 O-C-N 120.759 -1.213 . . . . 0.0 110.9 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.6 Cg_exo -54.23 -27.78 49.03 Favored 'Trans proline' 0 C--N 1.323 -0.777 0 N-CA-C 110.033 -0.795 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -93.34 26.33 2.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.223 -0.923 . . . . 0.0 109.494 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.22 154.54 20.88 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -73.92 -169.25 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -1.114 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -74.36 -38.29 63.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.053 . . . . 0.0 109.695 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.96 -49.49 51.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.191 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.58 -32.65 69.15 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.303 -0.873 . . . . 0.0 109.075 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 19.2 mt-30 -66.24 -45.93 78.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.133 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -52.43 -30.8 31.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.938 . . . . 0.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.19 -51.91 11.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.012 -1.055 . . . . 0.0 109.566 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.1 m-85 -61.8 -33.84 74.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.079 -1.013 . . . . 0.0 109.185 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 38.6 t -58.87 -39.57 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.57 -46.57 88.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.764 -0.585 . . . . 0.0 110.572 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -68.13 -37.75 81.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.706 -1.246 . . . . 0.0 110.246 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -43.65 96.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.6 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.111 -0.993 . . . . 0.0 109.292 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.49 -38.39 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.09 -41.9 69.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -69.45 -27.29 65.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -1.207 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.5 t80 -71.51 -29.88 65.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 109.413 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 61.1 ttt180 -72.94 -42.71 63.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.113 -0.992 . . . . 0.0 109.976 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 86' ' ' GLU . 74.5 mt -70.36 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.965 -1.084 . . . . 0.0 109.926 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.3 mtpt 58.85 -0.59 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 0.0 110.061 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.07 94.6 4.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.026 . . . . 0.0 108.698 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.72 -36.43 21.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.94 -50.77 69.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.76 -45.77 88.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.977 . . . . 0.0 109.903 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.5 73.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.554 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.1 mp -58.83 -18.35 31.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.157 -0.964 . . . . 0.0 109.021 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.87 -39.73 61.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.827 -1.17 . . . . 0.0 108.525 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -76.21 -37.8 57.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 110.13 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -31.69 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.301 -178.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -75.25 -48.24 24.28 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.468 -1.395 . . . . 0.0 109.206 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.42 -28.64 71.44 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.3 -38.8 92.58 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.5 -1.0 . . . . 0.0 108.354 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -78.88 -29.66 44.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.016 -1.053 . . . . 0.0 110.67 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -53.74 -37.36 63.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -34.45 16.58 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -133.91 73.98 69.96 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.607 -0.683 . . . . 0.0 109.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.0 -18.67 57.44 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.444 1.429 . . . . 0.0 109.727 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.41 -4.8 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.275 -0.891 . . . . 0.0 109.961 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 107' ' ' ALA . 54.2 t-20 -74.66 104.52 5.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.485 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -74.46 -40.55 61.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.44 -28.48 59.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.179 -0.95 . . . . 0.0 109.424 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.726 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -27.27 47.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.073 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -74.33 -50.73 17.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.82 -32.67 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.42 -43.59 98.6 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.8 -34.14 75.37 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -57.04 -45.02 83.5 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.54 -0.725 . . . . 0.0 109.653 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.36 -46.26 83.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.176 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.6 mt -66.45 -46.55 86.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.386 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -54.95 -41.71 71.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.734 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.4 -49.99 72.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 0.0 109.858 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.53 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.149 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.8 mtp -47.98 -48.43 32.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.542 -0.724 . . . . 0.0 110.209 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? . . . . . 0 N--CA 1.489 1.512 0 O-C-N 120.522 -1.362 . . . . 0.0 109.105 179.799 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -81.04 141.29 34.52 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.41 -26.86 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 108.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 81.4 mm-40 -65.93 -45.85 80.34 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.98 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.69 -46.04 84.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.264 -0.898 . . . . 0.0 110.423 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.53 91.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.98 -1.075 . . . . 0.0 109.709 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.39 -36.91 45.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 32.9 ttpt -51.84 -54.27 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.986 -1.071 . . . . 0.0 108.989 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.04 -25.83 64.67 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 108.981 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.31 -35.77 73.87 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -53.96 -47.09 71.69 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -62.36 -48.98 77.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.975 . . . . 0.0 108.794 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -53.65 -37.16 62.85 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.131 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -72.36 -52.53 15.68 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.488 -0.758 . . . . 0.0 109.935 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.91 -50.16 74.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.762 -1.211 . . . . 0.0 109.829 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 29' ' ' SER . 11.8 mm-40 -58.41 -52.0 67.47 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.096 -1.002 . . . . 0.0 108.933 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.6 ttpt -57.16 -41.06 78.48 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.171 -0.956 . . . . 0.0 108.933 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.78 64.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -14.85 34.03 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.75 10.68 46.07 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -153.75 159.1 41.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -1.033 . . . . 0.0 109.191 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.84 123.68 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.372 -0.83 . . . . 0.0 109.426 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.0 m -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 109.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -57.75 -35.72 71.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.306 -0.871 . . . . 0.0 109.166 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.6 t -55.41 -49.55 72.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.71 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.8 m -64.77 -39.43 93.6 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.112 -0.992 . . . . 0.0 109.02 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.593 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.28 -37.1 84.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 108.874 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 15.1 m-85 -68.91 -51.31 41.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.293 -0.879 . . . . 0.0 110.464 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.76 -14.27 62.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.853 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.2 t80 -79.24 -34.65 42.55 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -72.26 -34.69 68.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.059 -1.026 . . . . 0.0 108.917 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.71 -53.19 60.64 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.268 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -79.22 -55.94 4.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 39' ' ' ALA . 33.3 m -54.65 -18.25 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.758 -1.214 . . . . 0.0 109.913 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -102.69 19.25 19.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 109.068 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 32.0 t -85.25 -151.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.18 -0.95 . . . . 0.0 109.599 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 45' ' ' SER . 9.0 ptmm? -138.99 39.67 2.14 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.357 -0.84 . . . . 0.0 109.14 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -152.82 131.04 11.97 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -59.49 -39.21 83.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.391 -0.818 . . . . 0.0 111.555 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.79 -44.33 63.4 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.656 -1.277 . . . . 0.0 111.027 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -74.67 -45.2 46.14 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.971 -1.081 . . . . 0.0 109.312 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.13 -48.26 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.746 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 56' ' ' VAL . 96.6 mtt180 -54.63 -30.11 53.97 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -85.4 -40.52 16.37 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.03 -30.83 76.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.66 -42.93 62.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -1.122 . . . . 0.0 109.108 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.8 t -66.17 -44.03 91.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 O-C-N 121.221 -0.925 . . . . 0.0 108.682 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.593 HD22 ' OE1' ' A' ' 35' ' ' GLN . 28.6 mt -49.06 -46.9 45.12 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.707 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.1 -42.59 46.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.933 -1.105 . . . . 0.0 109.98 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -51.19 -42.22 60.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -0.996 . . . . 0.0 109.891 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -73.34 -32.02 64.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 109.94 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 mt -77.79 -29.67 50.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.99 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.5 mp -51.76 -55.59 28.69 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.779 -1.201 . . . . 0.0 111.181 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.4 Cg_exo -52.17 -18.1 6.96 Favored 'Trans proline' 0 C--N 1.321 -0.875 0 CA-C-N 119.258 0.771 . . . . 0.0 110.364 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 58.25 0.7 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.413 -0.804 . . . . 0.0 110.072 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.12 161.15 29.24 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -70.14 -176.57 1.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -1.182 . . . . 0.0 109.031 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -74.55 -41.08 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.999 -1.063 . . . . 0.0 109.516 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.82 -37.41 62.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.74 -39.23 84.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 74' ' ' VAL . 54.6 mt-30 -65.32 -41.74 93.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.079 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -52.55 -30.69 32.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.404 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.32 -52.05 10.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 109.333 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.8 m-85 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 108.986 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 70' ' ' GLN . 29.1 t -60.68 -41.3 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 108.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 65.3 t80 -59.23 -47.61 84.69 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.671 -0.643 . . . . 0.0 110.788 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -65.46 -36.85 85.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.738 -1.226 . . . . 0.0 110.665 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.72 -44.1 93.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 109.697 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.23 70.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.41 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.75 -42.98 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.066 -1.021 . . . . 0.0 110.112 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.47 90.31 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.11 -30.25 60.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.187 -1.184 . . . . 0.0 109.638 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -63.21 -31.7 72.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.332 -0.855 . . . . 0.0 109.115 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 85' ' ' LYS . 56.5 mtp180 -76.5 -42.88 41.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.313 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 86' ' ' GLU . 64.3 mt -70.23 33.84 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' TYR . 46.2 tttp 63.65 -31.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.277 -0.89 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 84' ' ' LEU . 43.2 mt-10 -49.83 95.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.732 -1.23 . . . . 0.0 108.742 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.6 m-85 -83.82 -42.59 16.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.0 110.751 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.83 -42.4 63.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.895 . . . . 0.0 110.672 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -54.26 -48.97 70.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.891 -1.131 . . . . 0.0 108.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.63 69.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.283 -0.886 . . . . 0.0 109.004 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.5 tp -72.62 -21.43 61.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.485 -0.76 . . . . 0.0 109.305 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.51 -36.21 57.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.366 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -75.27 -40.9 58.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.65 -0.656 . . . . 0.0 109.754 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -34.67 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.319 -0.863 . . . . 0.0 110.584 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -71.57 -48.0 51.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.457 -1.402 . . . . 0.0 109.841 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.11 76.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.02 -37.56 77.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.652 -0.91 . . . . 0.0 109.075 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 73.9 mt -75.66 -28.91 58.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.73 -1.231 . . . . 0.0 109.917 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 3.2 tp60 -57.93 -28.62 64.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 60.7 p -87.95 -50.58 6.33 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.647 -0.658 . . . . 0.0 109.667 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -130.7 78.02 74.59 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.667 -0.645 . . . . 0.0 110.153 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.524 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 5.8 Cg_exo -62.7 -13.42 33.88 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 C-N-CA 121.212 1.275 . . . . 0.0 109.517 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -81.67 -3.25 53.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.799 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -76.85 97.0 4.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 109.587 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -65.83 -43.67 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.889 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' NE2' ' CZ ' ' A' ' 75' ' ' PHE . 4.8 tt0 -55.24 -28.13 51.16 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.311 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.18 -27.97 42.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.148 -0.97 . . . . 0.0 109.048 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 64.4 mttm -73.72 -50.42 20.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.852 . . . . 0.0 109.611 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.3 -37.46 72.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.14 -0.975 . . . . 0.0 109.26 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.96 -38.55 91.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.095 -1.003 . . . . 0.0 108.78 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.28 -32.61 74.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.855 . . . . 0.0 108.788 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -63.19 -47.02 84.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.496 -0.753 . . . . 0.0 109.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.54 -44.6 93.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 109.599 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.72 -45.7 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 109.618 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.2 -46.2 71.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.278 -0.889 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -70.26 -51.0 33.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 110.98 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.45 69.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.6 -1.313 . . . . 0.0 108.363 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 10.5 ttp -52.75 -30.23 31.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 110.207 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.7 mttm . . . . . 0 N--CA 1.489 1.482 0 O-C-N 120.78 -1.2 . . . . 0.0 108.937 179.282 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.221 0.534 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.8 p -63.75 130.94 46.27 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.268 -0.895 . . . . 0.0 109.181 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -47.58 -25.28 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.273 -0.892 . . . . 0.0 109.084 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.1 mp0 -70.99 -44.26 66.31 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.133 -0.979 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.55 -42.12 99.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.855 . . . . 0.0 110.714 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.23 -43.73 60.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.883 -1.136 . . . . 0.0 109.832 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 mt -78.34 -19.09 54.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.753 -1.217 . . . . 0.0 110.094 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.3 ttpt -68.74 -50.86 47.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.015 -1.053 . . . . 0.0 109.84 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.96 -26.59 54.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.969 -1.082 . . . . 0.0 109.497 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' OE2' ' CE1' ' A' ' 38' ' ' TYR . 5.8 tp10 -73.96 -33.88 64.05 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -54.36 -48.86 70.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 6.0 mtpp -58.34 -47.45 83.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.033 -1.042 . . . . 0.0 108.568 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -53.41 -32.44 49.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -73.19 -52.92 12.34 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.663 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.3 m -65.56 -47.43 75.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 110.033 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.01 -38.98 77.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.117 -0.989 . . . . 0.0 108.961 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -72.6 -37.19 68.2 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.158 -0.964 . . . . 0.0 108.749 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.93 72.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.63 12.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.0 17.0 53.18 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.5 m -153.86 121.33 5.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.514 -0.992 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.24 121.79 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.45 -0.781 . . . . 0.0 109.759 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -71.01 139.56 50.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.357 -0.839 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -56.17 -32.35 64.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.22 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -54.1 -49.1 69.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.555 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -65.39 -41.62 93.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.141 -0.974 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -58.1 -41.23 83.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.185 -0.947 . . . . 0.0 109.27 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 22.8 m-85 -68.06 -50.9 52.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.422 -0.799 . . . . 0.0 110.313 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.27 -14.71 61.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.123 -0.986 . . . . 0.0 110.453 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 20.3 t80 -77.01 -37.31 55.31 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.676 -1.265 . . . . 0.0 109.211 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.11 -37.37 69.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -47.74 75.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.884 -1.135 . . . . 0.0 108.095 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.8 m -54.71 -42.35 71.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.459 -0.775 . . . . 0.0 109.64 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -78.1 -41.31 35.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.193 -0.942 . . . . 0.0 110.766 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' ALA . 66.7 t -52.83 -20.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.952 -1.093 . . . . 0.0 109.816 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.567 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.4 OUTLIER -113.71 27.42 9.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 0.0 109.414 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -87.07 158.47 19.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.929 -1.107 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -73.97 -11.84 60.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -94.77 136.68 34.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' OD1' ' A' ' 49' ' ' ASP . 13.1 p-10 -70.63 -48.65 53.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 110.017 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -52.22 -27.51 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.037 -1.04 . . . . 0.0 110.267 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.9 -29.92 69.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.963 -1.085 . . . . 0.0 108.99 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -77.6 -39.17 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.2 mtt180 -54.11 -54.69 36.01 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -57.74 -45.28 86.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.52 -40.55 96.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -67.66 -38.87 81.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 120.984 -1.304 . . . . 0.0 108.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.7 t -66.88 -47.02 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 57' ' ' LEU . 34.2 mt -49.65 -49.07 48.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.899 -0.501 . . . . 0.0 110.09 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.88 -41.98 74.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.813 -1.18 . . . . 0.0 109.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CD ' ' HH ' ' A' ' 93' ' ' TYR . 14.3 mm-40 -51.33 -39.13 56.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.034 -1.041 . . . . 0.0 109.979 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.63 -29.03 62.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.992 . . . . 0.0 109.779 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.64 -31.67 57.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.266 -0.897 . . . . 0.0 110.932 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.1 mp -53.68 -54.82 41.88 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 120.752 -1.217 . . . . 0.0 111.565 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.6 Cg_endo -56.52 -27.75 70.53 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 CA-C-N 119.553 0.876 . . . . 0.0 110.343 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.2 -4.28 57.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.165 -0.959 . . . . 0.0 110.18 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.47 154.52 20.4 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 6.7 m -68.76 -167.4 0.1 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -1.196 . . . . 0.0 108.937 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -74.97 -41.18 60.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.888 -1.132 . . . . 0.0 109.342 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.54 -45.27 72.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.406 -0.809 . . . . 0.0 109.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 35.8 mt-10 -64.25 -30.09 71.16 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.142 -0.974 . . . . 0.0 109.529 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 66' ' ' SER . 32.6 mt-30 -66.77 -55.1 16.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.082 -1.011 . . . . 0.0 109.799 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -52.55 -26.63 13.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.984 -1.072 . . . . 0.0 109.613 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.98 -53.02 9.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.815 -1.178 . . . . 0.0 109.533 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 9.2 m-85 -61.99 -31.94 72.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.913 -1.117 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -59.36 -37.41 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.57 -46.13 89.83 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.824 -0.547 . . . . 0.0 110.119 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.45 -37.28 82.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.06 -45.08 96.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.0 109.612 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.9 68.84 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.08 -1.013 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.6 -38.93 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.12 -42.25 91.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -69.38 -28.04 65.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.191 -1.182 . . . . 0.0 109.653 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.34 -29.82 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 109.04 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.5 mmt180 -71.75 -44.21 64.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 0.0 109.659 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -72.17 27.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.149 -0.97 . . . . 0.0 109.914 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.6 mttp 56.42 2.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.96 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 60.5 mm-40 -75.9 93.69 3.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.104 -0.998 . . . . 0.0 109.129 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.15 -36.49 22.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.27 -0.894 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.29 -50.6 72.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 0.0 109.982 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.97 -44.09 73.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.118 -0.989 . . . . 0.0 109.826 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.91 71.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.6 mp -76.59 -19.48 57.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.556 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -73.31 -36.3 66.22 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HH ' ' CD ' ' A' ' 59' ' ' GLU . 47.5 m-85 -76.54 -39.5 52.7 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.736 -0.602 . . . . 0.0 109.95 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -31.34 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.209 -0.932 . . . . 0.0 110.675 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -70.87 -48.49 53.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.395 -1.441 . . . . 0.0 109.624 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.05 -29.51 75.56 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.94 -38.69 83.13 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.598 -0.943 . . . . 0.0 108.826 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 79.3 mt -75.47 -33.72 60.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.786 -1.196 . . . . 0.0 109.378 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -53.63 -26.01 20.28 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 45.8 p -92.97 -48.61 6.44 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -128.43 77.74 76.73 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.84 -0.537 . . . . 0.0 110.075 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.34 -24.56 64.58 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.265 1.31 . . . . 0.0 109.693 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.633 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 7.6 pm0 -77.25 5.94 7.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 0.0 109.474 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -78.97 101.37 7.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.464 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -72.0 -36.94 69.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -56.8 -44.35 81.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.383 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -62.06 -38.09 87.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.386 -0.821 . . . . 0.0 109.484 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.26 -39.39 82.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.65 -51.6 67.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.131 -0.981 . . . . 0.0 109.578 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.23 -42.55 63.69 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.105 -0.997 . . . . 0.0 109.217 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.4 -49.39 77.76 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.07 -42.8 81.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 109.157 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.59 HG21 ' CD1' ' A' ' 91' ' ' LEU . 35.4 mt -71.68 -45.22 67.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.344 -0.848 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -42.17 84.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -55.93 -48.72 75.19 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.145 -0.972 . . . . 0.0 109.405 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.19 77.09 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.8 mmm -49.32 -47.89 46.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.446 -0.783 . . . . 0.0 110.423 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp . . . . . 0 N--CA 1.491 1.594 0 O-C-N 120.568 -1.332 . . . . 0.0 109.198 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.382 0.61 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -62.16 138.96 58.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.194 -0.941 . . . . 0.0 108.833 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.19 -25.12 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.0 mp0 -70.3 -46.31 64.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.672 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.92 -37.27 86.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.957 . . . . 0.0 110.446 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -73.4 -44.68 57.97 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.844 -1.16 . . . . 0.0 109.402 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -78.18 -26.6 47.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.888 -1.133 . . . . 0.0 109.589 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.3 tmmm? -62.69 -44.38 96.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 109.021 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -78.17 -27.4 48.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.0 108.754 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -70.75 -37.91 73.45 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.36 -47.84 75.14 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -56.83 -46.7 81.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.096 -1.002 . . . . 0.0 108.813 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -53.5 -34.44 58.1 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.349 -0.844 . . . . 0.0 109.545 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -72.49 -53.64 11.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.135 -0.978 . . . . 0.0 109.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -57.73 -50.05 74.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.798 -1.189 . . . . 0.0 109.756 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.64 -49.52 77.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.178 -0.951 . . . . 0.0 109.009 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -64.97 -39.28 93.24 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.24 -0.913 . . . . 0.0 108.968 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.17 72.64 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.57 -15.0 15.48 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.57 16.92 51.2 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 m -153.68 123.88 6.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.46 -1.023 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.99 118.83 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.516 -0.74 . . . . 0.0 109.688 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -70.16 137.8 51.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.458 -0.776 . . . . 0.0 109.413 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -57.95 -17.75 19.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.325 -0.859 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 t -66.95 -49.08 66.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.364 -0.835 . . . . 0.0 109.89 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -71.76 -37.33 70.54 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.065 -1.022 . . . . 0.0 109.19 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.66 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -56.64 -48.25 77.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 108.904 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.4 m-85 -64.0 -50.27 69.18 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.571 -0.706 . . . . 0.0 110.209 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.34 -13.51 62.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 109.826 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 52.2 t80 -80.55 -34.76 35.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.106 -0.996 . . . . 0.0 109.714 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.48 69.99 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.795 -1.191 . . . . 0.0 108.509 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.659 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.66 -52.48 65.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 108.843 179.426 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 14' ' ' LEU . 13.7 p -53.92 -38.8 65.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.875 . . . . 0.0 109.946 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.3 mt -77.57 -41.58 38.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.131 -0.981 . . . . 0.0 110.239 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 39' ' ' ALA . 92.6 t -53.22 -19.29 2.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.039 -1.038 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.659 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 47.0 mtm180 -113.74 27.78 9.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.796 -0.565 . . . . 0.0 109.617 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -88.78 167.06 13.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.999 -1.063 . . . . 0.0 109.389 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -81.57 -10.85 59.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.309 -0.869 . . . . 0.0 109.406 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -97.03 138.21 34.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 18.4 p-10 -70.97 -48.6 52.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.872 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.44 -27.55 10.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.048 -1.033 . . . . 0.0 110.188 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.41 -29.68 70.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.076 -1.015 . . . . 0.0 108.638 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.78 -41.84 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 108.871 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 56' ' ' VAL . 62.1 ttt180 -54.74 -26.07 31.74 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' NZ ' HD11 ' A' ' 57' ' ' LEU . 11.7 ttpp -87.49 -45.88 10.1 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.859 . . . . 0.0 108.788 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.34 -31.1 72.81 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.64 -43.47 54.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.213 -1.169 . . . . 0.0 108.802 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -65.79 -46.54 88.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.66 HD22 ' OE1' ' A' ' 35' ' ' GLN . 30.5 mt -49.44 -45.77 46.94 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.727 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.52 -42.0 68.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.943 -1.098 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -53.7 -35.19 60.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.052 -1.03 . . . . 0.0 110.056 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -73.82 -35.31 64.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.997 . . . . 0.0 110.359 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.406 HD11 HE21 ' A' ' 35' ' ' GLN . 17.4 mt -76.93 -29.32 55.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.144 -0.973 . . . . 0.0 110.938 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 mp -51.11 -55.81 25.18 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 120.816 -1.178 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.2 Cg_exo -53.03 -27.17 35.08 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 120.514 0.809 . . . . 0.0 110.319 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -99.14 29.87 3.7 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.171 -0.956 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.38 152.7 19.25 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 40.7 t -70.1 -171.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -1.149 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -74.25 -39.15 63.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.977 -1.077 . . . . 0.0 109.438 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -71.32 -45.98 61.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.312 -0.868 . . . . 0.0 108.79 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.46 -34.69 71.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.461 -0.775 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 66' ' ' SER . 37.6 mt-30 -66.36 -45.73 79.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.92 . . . . 0.0 109.382 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -52.92 -29.89 31.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.168 -0.958 . . . . 0.0 109.261 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.51 -52.75 8.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.94 -1.1 . . . . 0.0 109.567 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.3 m-85 -60.58 -32.74 71.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 108.768 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 24.6 t -60.62 -39.5 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.48 -45.92 87.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.768 -0.582 . . . . 0.0 110.327 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -67.72 -37.27 81.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.756 -1.215 . . . . 0.0 110.056 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.91 -44.98 96.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.127 -0.983 . . . . 0.0 109.594 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.24 69.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 109.256 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.68 -40.24 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.885 . . . . 0.0 109.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.93 -40.45 89.07 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 81' ' ' ASN . 0.9 OUTLIER -69.52 -27.22 64.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -1.125 . . . . 0.0 109.572 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.4 t80 -70.65 -30.11 66.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.295 -0.878 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 85' ' ' LYS . 46.9 mtp180 -72.69 -43.96 62.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.137 -0.977 . . . . 0.0 109.961 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.3 mt -71.42 30.33 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.0 mmtm 55.06 4.75 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 84' ' ' LEU . 18.4 tp10 -80.71 90.05 5.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 108.985 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -84.54 -36.56 22.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 0.0 110.054 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.22 -51.23 70.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 110.151 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -69.51 -39.56 77.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.076 -1.015 . . . . 0.0 109.73 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.5 89.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.999 -1.063 . . . . 0.0 109.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.3 mp -71.61 -19.66 62.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.255 -0.903 . . . . 0.0 109.09 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -75.1 -36.84 61.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.872 -1.143 . . . . 0.0 108.273 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -75.65 -40.03 56.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.716 . . . . 0.0 109.468 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.47 -31.75 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 0.0 110.942 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -72.26 -48.81 39.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.531 -1.356 . . . . 0.0 110.133 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.52 -28.97 73.62 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 12.5 tp -57.42 -44.01 84.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.637 -0.919 . . . . 0.0 108.696 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.55 -36.19 68.2 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.931 -1.106 . . . . 0.0 110.31 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -49.56 -30.65 8.92 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 74.2 p -77.59 -48.21 17.46 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.744 0.783 . . . . 0.0 108.91 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -134.63 78.48 55.84 Favored Pre-proline 0 N--CA 1.496 1.854 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -58.1 -13.96 17.49 Favored 'Trans proline' 0 C--N 1.318 -1.079 0 C-N-CA 121.203 1.269 . . . . 0.0 109.671 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -83.36 1.2 42.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 109.792 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -79.63 105.4 10.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.22 -37.71 63.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 0.0 109.888 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -56.92 -30.4 63.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.723 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.39 -29.58 47.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.01 -50.91 20.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.778 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.83 -32.44 67.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.317 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.03 -42.01 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.123 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.51 -29.27 70.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.81 -43.02 94.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.185 -0.947 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.33 -43.64 83.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.047 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.585 HG21 ' CD1' ' A' ' 91' ' ' LEU . 62.7 mt -71.41 -50.17 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.433 -0.792 . . . . 0.0 109.599 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.58 -46.17 73.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.91 -43.84 81.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.129 -0.982 . . . . 0.0 109.805 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.36 76.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.516 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.64 -47.11 20.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.473 -0.767 . . . . 0.0 110.389 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 3.5 mptp? . . . . . 0 N--CA 1.491 1.618 0 O-C-N 120.549 -1.345 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 133.41 35.45 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.365 -0.834 . . . . 0.0 109.221 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.41 -23.19 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.286 -0.884 . . . . 0.0 108.763 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 45.8 mt-10 -70.01 -37.73 75.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.228 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 7.0 t70 -76.74 -49.44 15.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.719 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.92 -47.21 81.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.877 -1.139 . . . . 0.0 110.186 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.64 -40.53 48.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.99 -1.069 . . . . 0.0 110.329 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 33.4 ttpt -50.86 -53.39 32.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.762 -1.211 . . . . 0.0 108.92 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -65.19 -28.45 69.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.063 -1.023 . . . . 0.0 108.65 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.67 -35.2 65.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 0.0 108.574 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -54.29 -41.05 68.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -65.36 -42.2 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.314 -0.866 . . . . 0.0 108.876 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -51.06 -44.4 61.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.463 -0.773 . . . . 0.0 109.404 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -72.8 -51.43 19.0 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.216 -0.927 . . . . 0.0 110.096 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -64.31 -38.32 90.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.776 -1.202 . . . . 0.0 109.787 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 48.7 mm-40 -61.48 -50.76 71.46 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.995 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -64.15 -34.35 77.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.96 -1.088 . . . . 0.0 108.582 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.08 78.98 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 -16.3 45.87 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.74 15.04 54.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 70.2 m -153.57 156.53 38.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.285 -1.127 . . . . 0.0 109.976 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -138.17 123.69 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.426 -0.797 . . . . 0.0 109.473 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -79.65 142.25 35.73 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.492 -0.755 . . . . 0.0 109.467 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -56.78 -19.24 16.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.186 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 96.3 p -66.23 -45.24 81.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 110.28 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -64.42 -49.43 71.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.959 -1.088 . . . . 0.0 110.162 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.587 ' OE1' HD21 ' A' ' 61' ' ' LEU . 84.6 mt-30 -55.59 -50.77 69.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.951 -1.093 . . . . 0.0 109.638 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.62 -49.04 78.93 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.396 -0.815 . . . . 0.0 110.765 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -70.64 -30.76 67.47 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.127 -0.983 . . . . 0.0 110.76 -178.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 42' ' ' LEU . 31.8 t80 -84.7 -22.63 29.69 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 109.995 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.13 16.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.095 -1.003 . . . . 0.0 110.206 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -59.22 -34.67 72.46 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.553 -1.342 . . . . 0.0 108.204 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -57.93 -40.31 80.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.211 -0.931 . . . . 0.0 110.819 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 38' ' ' TYR . 16.9 mt -72.27 -57.1 4.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.837 -1.164 . . . . 0.0 111.202 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.45 -16.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.087 -1.008 . . . . 0.0 110.558 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -93.07 25.68 3.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.815 -1.178 . . . . 0.0 109.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -119.05 163.15 17.41 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -85.44 -5.95 59.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.208 -0.932 . . . . 0.0 110.686 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 3.3 m-85 -80.78 110.53 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.782 -1.199 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.695 HD21 ' NE ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -49.34 -48.5 46.54 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.924 -1.11 . . . . 0.0 110.1 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 2.6 p30 -50.68 -31.9 17.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.044 . . . . 0.0 111.187 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 51' ' ' ILE . 1.9 p30 -73.92 -31.62 63.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.712 -1.243 . . . . 0.0 109.655 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 7.0 mt -76.2 -50.32 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.133 -0.979 . . . . 0.0 109.66 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.695 ' NE ' HD21 ' A' ' 48' ' ' ASN . 3.3 mtt-85 -53.56 -54.97 29.83 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -64.43 -35.09 79.78 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.87 -38.14 88.92 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.55 -38.57 81.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 120.826 -1.396 . . . . 0.0 109.128 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.1 t -60.24 -45.03 96.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.3 mt -50.34 -46.17 55.49 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.702 -0.624 . . . . 0.0 109.578 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.93 -47.08 63.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -53.79 -44.79 70.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.159 -0.963 . . . . 0.0 110.104 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -61.08 -31.56 71.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.152 -0.968 . . . . 0.0 110.032 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.587 HD21 ' OE1' ' A' ' 35' ' ' GLN . 96.0 mt -76.57 -28.91 56.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.928 . . . . 0.0 111.584 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.54 -54.48 38.85 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.785 -1.197 . . . . 0.0 111.359 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.8 Cg_exo -53.47 -21.03 17.25 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 120.412 0.741 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -114.73 12.07 16.99 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.362 -0.836 . . . . 0.0 110.56 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.54 149.59 19.43 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.413 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 5.2 m -68.47 -167.61 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.942 -1.328 . . . . 0.0 108.524 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.59 -47.0 28.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.642 -1.286 . . . . 0.0 109.075 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 20.1 mp0 -64.46 -35.92 82.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 109.358 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 66' ' ' SER . 50.3 mt-10 -66.79 -34.18 77.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -59.41 -45.58 91.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 108.948 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -61.6 -29.01 69.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.0 108.425 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.6 m-20 -78.79 -47.5 16.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.837 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.7 m-85 -53.02 -42.65 65.87 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -36.0 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 109.002 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -59.39 -50.21 74.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.45 -0.781 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.88 -39.56 79.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.772 -1.205 . . . . 0.0 109.963 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -59.37 -38.75 81.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.869 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.08 70.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.017 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' CG1' ' NH2' ' A' ' 83' ' ' ARG . 95.7 t -76.05 -45.2 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.277 -0.89 . . . . 0.0 109.782 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.81 -40.49 93.73 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' N ' HD22 ' A' ' 81' ' ' ASN . 1.2 m-80 -69.26 -28.6 66.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -1.128 . . . . 0.0 109.751 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -69.76 -30.18 67.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 83' ' ' ARG . 4.0 mtt-85 -71.93 -43.07 65.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.246 -0.909 . . . . 0.0 109.712 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 86' ' ' GLU . 61.3 mt -65.65 17.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.115 -0.991 . . . . 0.0 110.567 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 83' ' ' ARG . 18.6 tptt 68.46 -5.49 0.93 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.864 -1.148 . . . . 0.0 109.291 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 84' ' ' LEU . 14.5 mm-40 -75.28 95.04 3.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.227 -0.921 . . . . 0.0 109.664 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -85.31 -31.67 22.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.488 -0.758 . . . . 0.0 109.674 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.42 -41.84 93.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.18 -0.95 . . . . 0.0 109.953 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.457 ' N ' ' CD ' ' A' ' 89' ' ' LYS . 12.1 mptt -76.53 -47.29 23.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.91 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.27 69.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.109 -0.995 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -57.15 -54.6 44.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.771 -1.206 . . . . 0.0 108.138 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -45.07 -33.41 2.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.639 -0.663 . . . . 0.0 109.319 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -76.9 -47.3 21.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 108.833 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.58 -28.95 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 HH12 ' CG ' ' A' ' 111' ' ' GLU . 2.8 mpt_? -64.67 -47.39 78.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.59 -1.319 . . . . 0.0 108.756 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.96 -27.6 73.63 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 41.9 tp -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.293 -1.122 . . . . 0.0 108.874 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -76.7 -35.43 57.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.84 -1.162 . . . . 0.0 109.623 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.14 -27.91 16.04 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 30.0 p -88.96 -45.99 9.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.61 0.719 . . . . 0.0 109.149 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -132.71 77.34 69.35 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.933 -0.479 . . . . 0.0 109.973 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.18 -17.77 60.97 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.257 1.305 . . . . 0.0 109.545 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -81.53 -3.2 52.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.298 -0.876 . . . . 0.0 109.706 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -76.03 105.36 7.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.09 -1.006 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -73.45 -38.94 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.64 -34.68 67.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -69.41 -34.58 74.7 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 109.282 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.04 -36.44 77.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.225 -0.922 . . . . 0.0 109.078 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -53.95 52.34 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.916 0.865 . . . . 0.0 108.997 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 25.9 tp -51.11 -39.58 56.5 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 115' ' ' ASP . 6.4 tm-20 -63.86 -30.78 71.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.0 109.446 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -72.13 -43.63 64.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.186 -0.946 . . . . 0.0 109.61 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.66 -47.08 83.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 109.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.504 HG21 ' CD1' ' A' ' 91' ' ' LEU . 56.3 mt -68.94 -52.46 34.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.61 -0.681 . . . . 0.0 109.679 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -57.33 -45.22 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.0 109.822 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.85 -35.24 63.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.181 -0.949 . . . . 0.0 109.716 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.33 59.78 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtp -49.51 -48.57 47.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.635 -0.665 . . . . 0.0 110.829 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.5 mptm? . . . . . 0 N--CA 1.492 1.626 0 O-C-N 120.453 -1.404 . . . . 0.0 109.396 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.302 0.572 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -68.43 135.11 51.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.21 -0.932 . . . . 0.0 109.082 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.84 -23.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -0.891 . . . . 0.0 108.759 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 44.9 mt-10 -69.61 -44.93 69.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.372 -0.83 . . . . 0.0 109.088 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.08 -48.31 71.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 110.494 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.08 90.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.954 -1.091 . . . . 0.0 110.002 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.0 mt -76.71 -37.5 55.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.86 -1.15 . . . . 0.0 109.871 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.8 ttpt -52.52 -53.31 47.75 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.795 -1.191 . . . . 0.0 108.599 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.9 m-85 -65.53 -28.27 69.05 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.702 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -71.77 -36.19 70.28 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -55.25 -41.96 72.84 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.74 -42.19 67.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE2' ' CE ' ' A' ' 25' ' ' LYS . 38.7 t80 -52.41 -48.35 65.76 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.65 -49.93 35.34 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 p -58.97 -39.04 80.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.839 -1.163 . . . . 0.0 109.589 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' CD ' ' HG1' ' A' ' 34' ' ' THR . 38.5 mt-10 -58.81 -50.84 72.47 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 110.371 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' CE ' ' CE2' ' A' ' 21' ' ' PHE . 8.0 mttt -57.05 -37.53 71.92 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.593 -1.317 . . . . 0.0 108.567 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.53 79.32 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.94 56.48 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -156.83 153.53 28.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.29 -1.123 . . . . 0.0 110.027 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.21 125.37 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.479 -0.763 . . . . 0.0 109.295 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -80.44 141.78 34.93 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.438 -0.789 . . . . 0.0 109.544 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 61' ' ' LEU . 18.8 ttpp -57.11 -18.71 15.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.443 -0.786 . . . . 0.0 109.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 53.6 m -64.43 -48.09 76.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 0.0 110.212 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.509 ' HG1' ' CD ' ' A' ' 24' ' ' GLU . 6.7 m -64.29 -48.93 73.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 110.017 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -51.97 -49.77 62.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.131 . . . . 0.0 109.033 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -59.7 -48.99 79.49 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.47 -0.769 . . . . 0.0 110.666 -179.578 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.4 OUTLIER -70.93 -29.87 66.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 42' ' ' LEU . 49.6 t80 -83.46 -26.78 29.99 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.227 -0.921 . . . . 0.0 110.285 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.91 -51.51 18.29 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.927 -1.108 . . . . 0.0 110.331 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 13.7 p-90 -57.81 -33.99 69.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.389 -1.444 . . . . 0.0 108.001 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 88.1 m -57.38 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 109.676 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 38' ' ' TYR . 15.4 mt -79.76 -58.56 3.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.969 -1.082 . . . . 0.0 111.942 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 2.8 m -54.56 -17.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.682 -1.261 . . . . 0.0 109.681 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -93.27 16.04 14.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.947 -1.096 . . . . 0.0 109.128 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' NH2' ' A' ' 83' ' ' ARG . 6.7 p -101.24 167.91 9.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 109.56 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -90.95 -3.87 56.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.645 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.57 136.11 33.92 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.121 -0.987 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.459 ' OD1' HD21 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.72 -50.38 36.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.037 -179.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -51.25 -27.73 9.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.059 -1.025 . . . . 0.0 110.387 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.89 -29.95 62.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.078 . . . . 0.0 109.574 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mt -78.02 -48.84 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.91 -1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 56' ' ' VAL . 94.0 mtt180 -54.17 -55.49 27.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.13 -36.82 82.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -36.62 93.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.49 -40.79 80.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.963 -1.316 . . . . 0.0 109.105 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -57.83 -45.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -49.74 -50.04 45.78 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.837 -0.539 . . . . 0.0 109.707 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.19 -45.8 72.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 109.778 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.7 -48.9 74.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 109.968 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -54.94 -32.13 61.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.0 110.158 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' A' ' 32' ' ' LYS . 96.0 mt -76.91 -27.93 55.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.181 -0.949 . . . . 0.0 111.633 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.83 -54.1 43.92 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.75 -1.219 . . . . 0.0 111.467 -177.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -56.5 -25.57 59.01 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.458 0.772 . . . . 0.0 110.217 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -103.45 1.05 31.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.189 -0.944 . . . . 0.0 110.501 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.79 151.01 20.97 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t -67.39 -168.14 0.08 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -1.23 . . . . 0.0 108.567 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.09 -47.12 25.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.678 -1.264 . . . . 0.0 109.179 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.12 -49.85 76.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.201 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -57.63 -30.37 65.31 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -55.58 -44.45 76.9 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.09 -29.86 70.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.508 -0.745 . . . . 0.0 109.369 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -74.64 -48.28 27.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 36.8 m-85 -53.03 -38.74 62.66 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.96 -36.01 71.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.489 -0.757 . . . . 0.0 108.984 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -61.84 -50.76 70.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.586 -0.696 . . . . 0.0 110.453 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -68.33 -37.75 80.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.815 -1.178 . . . . 0.0 110.096 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.13 -45.56 92.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.08 -1.012 . . . . 0.0 110.251 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.47 71.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.958 -1.089 . . . . 0.0 109.202 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.35 -39.24 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.236 -0.915 . . . . 0.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.95 -43.55 57.63 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.57 -30.22 61.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.012 -1.287 . . . . 0.0 109.521 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.3 -45.87 90.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 109.404 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 12.3 ptm180 -75.07 -37.14 61.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.048 -1.032 . . . . 0.0 110.247 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -64.4 35.66 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -178.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 73.8 tttt 65.56 -41.13 0.32 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 110.133 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' LEU . 7.6 mm-40 -53.01 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.99 -1.069 . . . . 0.0 108.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.9 m-85 -84.98 -40.94 16.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.732 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -70.57 -41.27 72.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -0.911 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.52 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 37.4 mttp -54.35 -48.98 70.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.825 -1.172 . . . . 0.0 109.271 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.34 66.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.136 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.9 tp -70.34 -24.64 63.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.459 -0.775 . . . . 0.0 109.213 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.98 -34.01 44.56 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.21 -48.43 29.03 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.677 -0.639 . . . . 0.0 109.408 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.04 -29.75 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.388 -0.82 . . . . 0.0 109.843 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 15.7 mmm180 -70.82 -48.11 55.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.964 -1.085 . . . . 0.0 109.934 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.99 -28.06 73.36 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.8 tp -59.63 -39.35 84.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.718 -0.872 . . . . 0.0 108.792 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' ALA . 80.3 mt -77.0 -37.6 54.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.92 -1.113 . . . . 0.0 109.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.31 -26.24 7.18 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.0 p -89.49 -43.94 10.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 103' ' ' GLN . 58.9 mm-40 -130.67 76.19 77.7 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 122.037 -0.414 . . . . 0.0 110.38 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.64 42.67 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.473 1.449 . . . . 0.0 109.484 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 101' ' ' GLU . 36.7 mt-30 -141.4 -7.45 1.01 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.288 -0.882 . . . . 0.0 109.721 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -75.36 99.66 4.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.688 ' H ' HD22 ' A' ' 105' ' ' ASN . 1.8 m-80 -61.86 -40.82 96.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.885 . . . . 0.0 109.811 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.68 -28.95 61.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.689 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.36 -32.01 48.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.16 -50.38 22.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.317 -0.864 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.73 -30.11 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.18 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.12 -43.49 98.25 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.21 -0.931 . . . . 0.0 108.76 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -53.06 -43.25 66.54 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.112 -0.992 . . . . 0.0 108.729 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.11 -51.8 63.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.56 -52.83 63.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.335 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.5 mt -57.95 -49.8 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 0.0 110.009 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.37 -39.4 78.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 110.642 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.4 -43.13 91.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.993 -1.067 . . . . 0.0 110.795 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.27 70.15 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.623 -1.298 . . . . 0.0 108.736 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.1 mtm -49.21 -46.81 46.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 110.162 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 120.619 -1.301 . . . . 0.0 109.117 179.563 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.267 0.556 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -72.29 133.88 45.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.199 -0.938 . . . . 0.0 108.909 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -48.46 -24.22 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.131 -0.981 . . . . 0.0 109.009 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.6 mm-40 -69.91 -45.25 67.96 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.308 -0.87 . . . . 0.0 109.739 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.89 97.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 0.0 111.053 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.09 -41.39 61.75 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.764 -1.21 . . . . 0.0 110.136 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.05 -38.6 44.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.657 -1.277 . . . . 0.0 109.585 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tmmm? -52.45 -46.71 66.58 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 108.929 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.54 -26.99 58.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.559 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -54.59 -46.33 73.76 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 26.7 mttp -60.23 -48.36 82.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.44 -39.68 64.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -51.32 19.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.186 -0.946 . . . . 0.0 110.388 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 12.1 m -63.23 -42.27 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.685 -1.26 . . . . 0.0 110.154 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -57.04 -48.1 79.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.175 -0.953 . . . . 0.0 109.863 -179.093 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.27 -34.57 77.96 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.841 -1.162 . . . . 0.0 108.895 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.94 -44.69 78.64 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -14.92 24.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.39 16.39 55.46 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 60.0 m -154.63 157.62 38.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -1.107 . . . . 0.0 109.867 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.23 123.86 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 109.652 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -75.26 152.08 38.31 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.614 0.721 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -63.9 -18.29 64.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.593 -0.692 . . . . 0.0 109.784 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -68.55 -48.59 63.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 110.112 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -64.27 -43.61 94.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.172 -0.955 . . . . 0.0 109.926 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.05 -39.67 82.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.091 -1.006 . . . . 0.0 110.179 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 1.7 m-85 -69.43 -50.9 41.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.086 -1.009 . . . . 0.0 110.647 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -72.26 -16.29 61.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.892 -1.13 . . . . 0.0 110.045 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.465 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 57.1 t80 -79.66 -32.23 41.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.182 -0.949 . . . . 0.0 108.984 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.29 -37.3 69.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.263 -0.898 . . . . 0.0 108.837 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.95 -52.55 63.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 108.247 179.52 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.7 -39.37 65.11 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.442 -0.786 . . . . 0.0 109.99 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 18.1 mt -78.45 -41.04 33.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.094 -1.004 . . . . 0.0 110.526 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 39' ' ' ALA . 90.2 t -52.93 -20.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.078 -1.013 . . . . 0.0 109.44 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -120.49 33.28 5.65 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t -87.74 174.01 8.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.084 -1.01 . . . . 0.0 109.488 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' N ' ' OG ' ' A' ' 45' ' ' SER . 46.1 mtpt -85.71 -10.98 54.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.352 -0.843 . . . . 0.0 109.44 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.2 140.54 34.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.878 . . . . 0.0 109.425 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.518 ' C ' HD22 ' A' ' 48' ' ' ASN . 0.3 OUTLIER -71.33 -49.0 46.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.224 -0.922 . . . . 0.0 109.795 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.41 -26.23 7.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.049 -1.032 . . . . 0.0 110.221 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.6 -31.34 71.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 0.0 108.896 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -79.05 -44.64 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.005 -1.059 . . . . 0.0 108.945 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.3 mtt180 -54.48 -31.09 55.09 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -82.02 -44.3 16.83 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.73 94.89 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -41.98 90.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 O-C-N 120.957 -1.319 . . . . 0.0 109.105 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 52' ' ' ARG . 79.6 t -62.93 -47.81 91.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' LEU . 32.7 mt -49.53 -45.24 47.12 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.873 -0.517 . . . . 0.0 109.707 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.23 -45.77 54.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.958 -1.089 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -51.94 -43.51 63.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.146 -0.971 . . . . 0.0 110.213 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.152 -0.968 . . . . 0.0 110.51 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.7 -29.45 56.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.002 -1.062 . . . . 0.0 111.324 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -50.78 -55.15 29.37 Favored Pre-proline 0 N--CA 1.486 1.359 0 O-C-N 120.664 -1.273 . . . . 0.0 111.077 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -54.51 -26.56 45.74 Favored 'Trans proline' 0 C--N 1.322 -0.853 0 N-CA-C 110.004 -0.806 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -97.37 37.19 1.37 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.252 -0.905 . . . . 0.0 109.576 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.88 26.06 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -75.95 -170.27 1.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.17 -39.47 63.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 2.2 tm-20 -72.59 -46.5 53.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.588 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -56.3 -29.81 61.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -73.6 -38.2 65.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.3 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 71' ' ' ARG . 3.0 mtt-85 -52.47 -37.44 57.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.181 -0.949 . . . . 0.0 109.796 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD2' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -76.15 -51.63 11.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.991 -1.068 . . . . 0.0 109.863 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.521 ' CE1' ' OD2' ' A' ' 72' ' ' ASP . 2.7 m-85 -55.95 -39.0 71.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.886 -1.134 . . . . 0.0 109.399 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.43 -36.43 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 108.732 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -58.5 -45.53 88.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.613 -0.68 . . . . 0.0 110.227 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -71.04 -35.98 72.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.857 -1.152 . . . . 0.0 110.106 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.28 -44.95 94.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.614 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.84 -34.08 75.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.083 -1.011 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.73 -37.87 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.46 -43.41 53.66 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.03 -28.51 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.23 -1.159 . . . . 0.0 109.471 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.8 t80 -70.44 -30.37 67.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.009 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -69.58 -41.45 75.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.543 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -71.51 33.66 0.05 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 83' ' ' ARG . 50.9 mtpt 51.62 8.16 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.866 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' LEU . 11.3 tp10 -84.94 96.09 9.25 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.12 -0.988 . . . . 0.0 109.092 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -85.77 -36.22 20.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.27 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.1 mp0 -64.25 -38.92 92.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 110.14 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.64 -49.1 17.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.294 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.38 69.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.539 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.4 mp -54.89 -52.81 61.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 108.777 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -44.85 -35.83 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 109.467 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.93 -48.44 21.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 109.08 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -30.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -0.853 . . . . 0.0 109.788 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.465 ' NH1' ' CD ' ' A' ' 111' ' ' GLU . 3.1 mpt_? -60.72 -48.08 83.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.496 -1.378 . . . . 0.0 108.577 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.88 -28.92 73.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.499 ' O ' ' OG1' ' A' ' 100' ' ' THR . 63.8 tp -63.02 -35.72 81.15 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.168 -1.195 . . . . 0.0 109.084 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.74 -28.04 55.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.856 -1.153 . . . . 0.0 109.769 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -27.98 65.73 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 62.0 p -87.16 -51.18 6.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.622 -0.674 . . . . 0.0 109.672 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -132.11 77.85 70.35 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.77 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -63.48 -20.49 69.89 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.396 1.397 . . . . 0.0 110.443 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -85.23 2.93 41.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.043 -1.036 . . . . 0.0 109.714 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -73.58 111.89 9.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.139 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -70.79 -39.67 72.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.802 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -56.23 -49.04 75.26 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.172 -0.955 . . . . 0.0 109.443 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.18 82.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 0.0 109.348 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -58.4 -39.73 80.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.247 -0.908 . . . . 0.0 108.999 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.41 -51.61 69.16 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.349 -0.844 . . . . 0.0 109.199 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.72 -42.99 62.68 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.497 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' NH1' ' A' ' 95' ' ' ARG . 34.9 tt0 -61.35 -37.23 82.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -60.72 -47.26 87.09 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.314 -0.866 . . . . 0.0 109.726 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -57.64 -43.83 85.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.539 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.1 mt -70.99 -52.0 31.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.368 -0.832 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.88 -45.49 74.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.358 -0.839 . . . . 0.0 109.657 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -55.55 -51.9 65.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.085 -1.009 . . . . 0.0 109.409 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.98 78.1 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 69.2 mtp -50.31 -47.52 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.686 . . . . 0.0 110.764 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.491 1.587 0 O-C-N 120.588 -1.32 . . . . 0.0 109.721 -179.639 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.426 0.631 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -69.04 138.55 54.53 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.261 -0.9 . . . . 0.0 108.689 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.76 -24.1 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.294 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -70.58 -47.16 61.61 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.088 -1.007 . . . . 0.0 109.092 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.97 -37.63 86.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.279 -0.888 . . . . 0.0 110.333 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -50.08 57.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.53 -27.51 61.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 109.385 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -51.85 -54.11 32.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 108.99 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.45 -25.66 64.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.137 -0.977 . . . . 0.0 108.753 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 18' ' ' GLU . 1.2 tm-20 -71.14 -35.43 71.69 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -55.28 -45.19 76.17 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.05 78.49 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.415 -0.803 . . . . 0.0 109.03 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -53.09 -35.35 59.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.389 -0.819 . . . . 0.0 109.561 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' CA ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -72.5 -50.73 23.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.611 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -56.22 -49.12 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 110.214 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 29' ' ' SER . 33.3 mt-10 -61.0 -50.19 74.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.871 -1.143 . . . . 0.0 108.405 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -58.56 -44.06 89.56 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.16 66.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 -13.11 62.12 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.54 13.81 54.63 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p -149.38 134.77 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -1.044 . . . . 0.0 109.007 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -117.49 122.72 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.552 -0.718 . . . . 0.0 109.433 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 34' ' ' THR . 6.9 t -65.75 157.47 30.16 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.408 -0.807 . . . . 0.0 110.538 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 6.4 ttpm? -72.11 -25.06 61.59 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 t -74.49 -32.66 62.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.647 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 31' ' ' SER . 1.5 p -64.06 -50.7 67.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 108.805 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.32 -49.2 78.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 108.713 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.28 -53.9 52.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.519 -0.738 . . . . 0.0 111.35 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -75.17 -16.44 60.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.966 -1.084 . . . . 0.0 110.656 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 40.1 t80 -77.43 -35.13 54.32 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.794 -1.191 . . . . 0.0 109.214 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.8 -38.2 67.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.123 -0.986 . . . . 0.0 109.261 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.39 -47.32 76.05 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 m -55.47 -40.58 71.8 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.802 -0.562 . . . . 0.0 109.848 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 17.9 mt -77.59 -40.63 41.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.149 -0.969 . . . . 0.0 110.737 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 39' ' ' ALA . 47.7 t -53.92 -27.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 O-C-N 120.781 -1.199 . . . . 0.0 109.852 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -96.48 19.81 11.59 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.34 -0.85 . . . . 0.0 109.218 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -85.34 147.67 26.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.261 -0.899 . . . . 0.0 109.561 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -74.95 -4.58 38.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.81 135.82 39.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.4 -0.812 . . . . 0.0 109.319 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -70.72 -41.71 71.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.351 -0.843 . . . . 0.0 110.398 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.02 -32.22 61.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.909 -1.119 . . . . 0.0 110.358 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.55 -31.61 62.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.052 . . . . 0.0 109.121 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -77.51 -48.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.018 -1.051 . . . . 0.0 108.379 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.09 -43.89 64.13 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -70.56 -41.75 72.03 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.22 72.42 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.8 -50.65 47.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.187 -1.184 . . . . 0.0 109.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.19 -47.81 55.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 44.0 mt -50.32 -50.07 51.93 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.718 -0.613 . . . . 0.0 109.484 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.78 -46.51 78.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.958 -1.089 . . . . 0.0 109.408 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -52.51 -39.42 61.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.952 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.36 -33.54 75.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.978 . . . . 0.0 109.743 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -77.48 -28.06 52.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 mt -50.66 -54.6 34.2 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.903 -1.123 . . . . 0.0 111.516 -177.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.3 Cg_exo -54.94 -16.5 11.99 Favored 'Trans proline' 0 C--N 1.318 -1.078 0 C-N-CA 120.542 0.828 . . . . 0.0 110.457 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.87 -14.68 15.14 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.203 -0.936 . . . . 0.0 110.448 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.06 161.67 41.83 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -97.74 -178.06 3.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.094 -1.239 . . . . 0.0 108.986 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -53.17 -45.17 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.943 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.24 -50.08 75.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.056 . . . . 0.0 109.53 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 17.7 mp0 -65.33 -37.28 86.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.205 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 74' ' ' VAL . 64.4 mt-30 -53.46 -51.44 62.69 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -50.67 -35.31 30.2 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.269 -0.894 . . . . 0.0 108.972 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.61 -47.15 27.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.676 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 m-85 -58.75 -46.15 88.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.085 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 70' ' ' GLN . 62.0 t -57.98 -32.39 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.15 -49.69 66.55 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -73.12 -37.87 66.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 110.504 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.39 -27.54 68.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.932 -1.105 . . . . 0.0 109.797 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.04 50.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.137 -0.977 . . . . 0.0 109.54 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.43 -41.52 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.544 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.28 -43.72 92.29 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -69.19 -36.42 77.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -1.233 . . . . 0.0 109.824 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -59.21 -30.46 68.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.103 -0.998 . . . . 0.0 109.223 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 85' ' ' LYS . 53.0 mtp180 -73.6 -41.93 62.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 109.826 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.43 ' C ' ' H ' ' A' ' 86' ' ' GLU . 42.9 mt -73.11 29.24 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.077 -1.015 . . . . 0.0 109.871 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' ARG . 7.2 mtmp? 57.64 5.5 0.33 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.866 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.94 88.67 4.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.126 -0.984 . . . . 0.0 109.091 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -84.4 -38.84 19.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.394 -0.816 . . . . 0.0 109.389 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 18.7 mp0 -61.25 -47.99 83.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.0 109.93 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.1 -46.11 30.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.125 -0.985 . . . . 0.0 110.151 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.68 68.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 110.077 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 114' ' ' ILE . 3.7 mp -57.52 -56.62 19.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 108.75 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' LEU . 62.0 mttp -41.46 -36.74 0.92 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.496 -177.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 54.4 m-85 -74.4 -50.02 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.705 -1.247 . . . . 0.0 108.885 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -42.09 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.864 -1.147 . . . . 0.0 108.548 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -53.71 -26.41 22.86 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.628 -1.295 . . . . 0.0 107.59 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.51 -32.1 62.38 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' O ' ' OG1' ' A' ' 100' ' ' THR . 3.5 mm? -60.49 -39.54 88.05 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.869 -1.371 . . . . 0.0 108.909 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.628 ' CD2' HD21 ' A' ' 104' ' ' ASN . 9.4 mt -76.56 -50.46 13.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 110.52 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -55.54 -14.54 2.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.681 -1.262 . . . . 0.0 107.787 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.493 ' CG2' HE21 ' A' ' 99' ' ' GLN . 7.3 p -101.87 -46.85 4.78 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.526 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 44.9 mt-10 -136.4 79.6 41.76 Favored Pre-proline 0 N--CA 1.497 1.917 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.76 43.44 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.542 1.494 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 101' ' ' GLU . 67.7 mt-30 -151.51 -4.34 0.28 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.215 -0.928 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.706 ' H ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -79.03 106.61 11.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.868 -1.145 . . . . 0.0 109.361 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 10.2 p-10 -63.4 -36.71 84.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 0.0 110.05 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -56.84 -38.23 72.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.108 -0.995 . . . . 0.0 109.738 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.12 -35.62 48.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.093 -1.004 . . . . 0.0 109.353 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.26 -50.3 28.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 0.0 109.629 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.62 -32.94 69.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.81 -40.61 92.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.893 . . . . 0.0 108.939 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.55 -32.54 73.52 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.237 -0.914 . . . . 0.0 109.178 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -61.67 -41.34 97.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.295 -0.878 . . . . 0.0 109.238 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.19 -43.75 98.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.127 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.6 HG21 ' CD1' ' A' ' 91' ' ' LEU . 65.0 mt -70.72 -43.54 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.445 -0.784 . . . . 0.0 109.779 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.3 -50.4 67.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.305 -0.872 . . . . 0.0 109.846 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -56.63 -53.08 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.015 -1.053 . . . . 0.0 109.863 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.96 -49.28 78.45 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.8 ttt -47.84 -49.7 28.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.658 -0.651 . . . . 0.0 110.36 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.8 mttm . . . . . 0 N--CA 1.49 1.557 0 O-C-N 120.621 -1.299 . . . . 0.0 109.5 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.361 0.6 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -84.95 134.09 34.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.035 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.49 -23.45 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.8 mm-40 -69.5 -45.1 69.71 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.37 -0.831 . . . . 0.0 109.096 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.72 -49.68 61.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.59 -48.07 83.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.921 -1.112 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.26 -36.33 61.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.776 -1.202 . . . . 0.0 109.885 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.0 tmmm? -52.19 -38.02 56.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.774 -1.204 . . . . 0.0 108.37 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -74.41 -29.76 61.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.289 -0.882 . . . . 0.0 108.792 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -65.61 -41.37 92.83 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -54.4 -46.54 73.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.28 -48.58 67.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.148 -0.97 . . . . 0.0 108.438 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -53.49 -45.21 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.361 -0.837 . . . . 0.0 108.768 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -71.56 -51.28 24.3 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.67 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -55.21 -39.56 69.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.587 -1.32 . . . . 0.0 108.176 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.37 -48.56 79.22 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -43.51 78.18 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.79 71.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.7 20.54 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.57 12.42 53.7 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -157.54 158.45 35.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.324 -1.104 . . . . 0.0 109.914 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.49 126.42 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.585 -0.697 . . . . 0.0 109.238 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 151.71 25.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 109.571 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -58.56 -25.3 62.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.645 -0.659 . . . . 0.0 109.587 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.0 m -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.214 -0.929 . . . . 0.0 110.85 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -70.32 -48.5 56.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.89 -1.131 . . . . 0.0 110.248 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -53.51 -50.27 65.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.988 -1.07 . . . . 0.0 109.701 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.665 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.48 -49.14 77.96 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 53.9 mt-10 -71.62 -28.79 64.03 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 0.0 110.963 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 32.6 t80 -85.49 -21.94 28.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -0.913 . . . . 0.0 110.267 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.92 -50.24 21.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.948 -1.095 . . . . 0.0 109.91 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 22.0 p-90 -60.98 -33.63 73.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.504 -1.373 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' CZ2' ' A' ' 40' ' ' TRP . 88.2 m -55.83 -40.27 72.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.065 . . . . 0.0 108.895 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -77.13 -53.88 7.21 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.272 -0.893 . . . . 0.0 109.554 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 5.9 t -50.92 -19.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 108.945 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.416 HH11 ' HB3' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -109.12 24.18 13.47 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 58.9 p -94.16 160.13 14.84 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.278 -0.889 . . . . 0.0 109.724 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -78.6 -8.23 58.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.87 . . . . 0.0 109.696 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -95.6 132.01 41.2 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' H ' HD22 ' A' ' 48' ' ' ASN . 2.1 m-80 -70.61 -47.31 60.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.303 -0.873 . . . . 0.0 109.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -49.85 -26.95 4.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 110.01 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -27.73 60.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 109.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 51' ' ' ILE . 53.4 mt -76.29 -53.05 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.042 -1.037 . . . . 0.0 110.071 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 ptm180 -54.58 -31.54 56.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.692 -1.255 . . . . 0.0 107.812 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -81.67 -39.41 24.38 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.15 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 121.137 -1.214 . . . . 0.0 108.245 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 52' ' ' ARG . 91.3 t -61.07 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.9 mt -50.55 -44.84 56.68 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.609 -0.682 . . . . 0.0 109.193 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 39' ' ' ALA . 37.0 mt -67.84 -44.85 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.025 . . . . 0.0 109.092 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.53 -33.55 60.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 109.84 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.59 -32.77 70.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.876 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.25 -29.41 57.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.14 -0.975 . . . . 0.0 111.355 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -54.08 -54.63 45.23 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.861 -1.149 . . . . 0.0 111.381 -178.151 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.0 Cg_exo -54.06 -22.81 26.27 Favored 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 120.597 0.864 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -126.85 51.12 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.306 -0.871 . . . . 0.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.59 151.88 19.07 Favored Glycine 0 N--CA 1.502 3.094 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.403 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 6.8 m -64.38 -172.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.973 -1.31 . . . . 0.0 108.958 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -74.75 -46.02 40.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.95 -1.093 . . . . 0.0 108.914 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.17 -45.56 92.84 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 66' ' ' SER . 48.8 mt-10 -56.45 -34.73 67.13 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' C ' ' HE ' ' A' ' 71' ' ' ARG . 1.1 tt0 -54.67 -38.83 67.41 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.728 ' HE ' ' N ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -71.56 -29.37 64.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.43 -52.15 17.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.039 -1.038 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.665 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 61.2 m-85 -53.12 -37.91 62.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.947 -1.096 . . . . 0.0 108.826 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.8 t -61.15 -33.9 58.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.74 -50.3 58.03 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.594 -0.691 . . . . 0.0 110.044 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.35 -38.42 74.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.779 -1.201 . . . . 0.0 110.003 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 59.5 mt -59.98 -38.79 83.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.022 -1.049 . . . . 0.0 109.602 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.83 72.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.038 -1.039 . . . . 0.0 109.031 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.83 -46.78 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.6 -38.92 96.64 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-80 -71.45 -27.91 63.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -1.173 . . . . 0.0 109.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.7 t80 -68.1 -29.56 68.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -74.19 -47.92 32.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 109.845 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 86' ' ' GLU . 37.2 mt -70.35 31.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.098 -1.001 . . . . 0.0 110.203 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.5 mttp 54.86 3.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 110.269 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 84' ' ' LEU . 80.1 mt-10 -78.09 88.08 4.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.24 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.22 -38.03 21.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 109.805 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.51 -50.62 72.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.135 -0.978 . . . . 0.0 109.883 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.268 -0.895 . . . . 0.0 109.85 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.93 86.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -76.07 -19.31 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 0.0 109.392 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -73.16 -35.98 66.54 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.58 -41.37 60.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.826 -0.546 . . . . 0.0 109.778 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.78 -30.62 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.166 -0.959 . . . . 0.0 110.77 -178.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.551 ' CG ' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -64.45 -48.57 74.79 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.947 -1.721 . . . . 0.0 108.275 179.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.29 -27.66 72.68 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 36.3 tp -62.57 -37.43 86.14 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.212 -1.169 . . . . 0.0 109.045 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.53 -35.93 58.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.922 -1.111 . . . . 0.0 109.387 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -54.38 -24.01 17.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 40.2 p -96.45 -48.15 5.68 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.75 77.6 75.28 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.785 -0.572 . . . . 0.0 109.996 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 2.1 Cg_endo -65.99 -15.28 48.12 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.492 1.462 . . . . 0.0 109.631 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -88.54 -3.35 58.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.374 -0.829 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.456 HD22 ' HB2' ' A' ' 107' ' ' ALA . 56.7 t30 -73.11 103.88 4.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 0.0 109.414 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.728 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -70.04 -39.46 75.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.524 -179.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -55.59 -28.84 57.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.09 . . . . 0.0 109.368 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.456 ' HB2' HD22 ' A' ' 104' ' ' ASN . . . -77.19 -42.16 38.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.342 -0.849 . . . . 0.0 109.203 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 55.6 mttp -57.9 -40.63 80.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.89 . . . . 0.0 109.386 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.79 -51.24 70.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.7 tp -51.68 -41.61 61.55 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.388 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.64 -33.62 76.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.05 -1.031 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.6 -48.11 42.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 110.19 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.2 mt -56.74 -46.53 81.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 0.0 109.154 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 91' ' ' LEU . 43.9 mt -68.6 -50.3 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 119' ' ' LYS . 6.6 t70 -54.64 -43.94 72.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.776 . . . . 0.0 110.174 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.63 -53.41 57.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.982 -1.074 . . . . 0.0 109.915 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.7 80.63 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.99 -43.69 29.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.711 -0.618 . . . . 0.0 111.314 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 23.6 mmtm . . . . . 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 109.969 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 121.35 0.595 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 m -48.48 119.29 2.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.367 -0.833 . . . . 0.0 109.56 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.82 -24.84 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.3 mm-40 -67.4 -47.5 70.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 11.3 t70 -67.62 -45.22 76.05 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 108.982 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 14' ' ' LEU . 1.8 tm? -59.32 -50.16 75.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.409 -0.807 . . . . 0.0 109.657 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.0 -39.63 55.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.78 -1.2 . . . . 0.0 109.984 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.1 tmmm? -52.61 -48.81 66.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.763 -1.211 . . . . 0.0 108.798 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.05 -30.19 69.34 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.7 -41.83 78.57 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -56.39 -40.66 74.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -61.67 -49.34 76.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.3 -0.875 . . . . 0.0 109.03 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.16 -35.95 62.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.212 -0.93 . . . . 0.0 109.106 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -72.79 -52.36 15.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.417 -0.802 . . . . 0.0 109.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t -65.81 -45.95 80.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.827 -1.171 . . . . 0.0 110.002 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -59.8 -42.12 92.71 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.073 -1.017 . . . . 0.0 108.667 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -69.78 -38.99 76.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.81 71.37 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -16.26 22.27 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.07 16.46 50.76 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' GLU . 57.8 m -154.12 123.38 6.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.55 -0.971 . . . . 0.0 109.062 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.47 125.62 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.449 -0.782 . . . . 0.0 109.9 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.4 p -74.17 134.36 42.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.456 -0.778 . . . . 0.0 109.396 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.63 -19.08 14.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.359 -0.838 . . . . 0.0 109.286 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.2 t -75.25 -38.66 60.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.375 -0.828 . . . . 0.0 110.439 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -64.58 -48.84 73.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.959 -1.088 . . . . 0.0 110.16 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 61' ' ' LEU . 96.1 mt-30 -59.14 -40.9 86.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.932 -1.105 . . . . 0.0 109.45 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.699 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -64.95 -50.21 67.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.406 -0.809 . . . . 0.0 110.52 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -68.93 -23.86 64.21 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.99 0.9 . . . . 0.0 110.51 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.4 t80 -81.16 -29.62 34.64 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.533 -0.729 . . . . 0.0 110.699 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.47 -51.72 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.78 -1.2 . . . . 0.0 110.612 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -57.7 -32.91 67.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 117.555 -1.658 . . . . 0.0 108.219 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.484 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -56.15 -42.23 76.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.842 -1.161 . . . . 0.0 109.243 178.536 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 mt -78.06 -49.02 14.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.13 -0.981 . . . . 0.0 110.416 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 39' ' ' ALA . 25.2 t -49.67 -19.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.24 -0.912 . . . . 0.0 109.465 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -94.67 12.84 26.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 52.7 p -96.04 159.43 14.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 36.4 mtmt -97.65 53.07 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.173 -0.954 . . . . 0.0 109.766 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 59.2 m-85 -149.98 119.49 6.93 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 108.845 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -50.14 -48.98 53.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 111.138 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -51.99 -45.12 64.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.734 -1.229 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.777 -1.202 . . . . 0.0 109.785 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.24 -41.29 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.868 -1.145 . . . . 0.0 109.035 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -51.99 -31.28 28.74 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -73.09 -40.39 65.03 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.72 -39.27 66.63 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.67 -54.75 30.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.012 -1.287 . . . . 0.0 109.181 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.69 -51.99 66.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 CA-C-O 121.353 0.597 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.85 -47.74 60.21 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.36 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.45 -45.4 38.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 110.077 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.15 -51.66 69.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.794 -1.191 . . . . 0.0 109.481 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.18 -32.22 46.76 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.002 -1.061 . . . . 0.0 109.399 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.434 HD21 ' OE1' ' A' ' 35' ' ' GLN . 47.9 mt -76.95 -27.79 54.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.531 -0.73 . . . . 0.0 111.343 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 mt -50.27 -54.34 35.14 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.705 -1.247 . . . . 0.0 111.541 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -55.98 -21.07 32.45 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 N-CA-C 109.92 -0.838 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -103.39 5.22 37.02 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.337 -0.852 . . . . 0.0 110.968 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.49 146.94 17.43 Favored Glycine 0 N--CA 1.503 3.145 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -70.88 -163.18 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.015 -1.285 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 67' ' ' LYS . 12.3 mptt -74.89 -45.73 40.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.83 -1.168 . . . . 0.0 109.141 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.75 -31.18 70.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.07 -1.019 . . . . 0.0 108.463 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.86 -38.48 79.78 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . 30.7 mt-30 -54.75 -49.65 70.32 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.505 ' NH2' ' OE2' ' A' ' 101' ' ' GLU . 38.0 mtp180 -52.22 -37.3 54.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.312 -0.868 . . . . 0.0 109.129 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -77.62 -51.68 10.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.003 -1.06 . . . . 0.0 109.306 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.699 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 30.9 m-85 -56.14 -43.79 78.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 108.667 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 70' ' ' GLN . 61.7 t -60.61 -33.63 55.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.99 -49.81 64.21 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.658 -0.651 . . . . 0.0 110.215 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -70.01 -39.14 76.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.848 -1.157 . . . . 0.0 109.938 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.48 -45.02 95.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.956 -1.09 . . . . 0.0 109.702 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.84 69.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.823 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.67 -41.88 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.528 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.37 -44.37 84.95 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.71 -27.33 68.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -1.218 . . . . 0.0 109.249 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.64 -29.72 66.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 108.936 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 20.7 mmm180 -73.08 -47.69 42.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.364 -0.835 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.6 mt -68.86 27.91 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 68.3 mttt 57.02 1.74 0.1 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.041 . . . . 0.0 109.974 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 64.8 mm-40 -76.81 87.0 3.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 109.006 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 6.6 m-85 -79.07 -36.55 40.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.919 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.6 mp0 -62.74 -50.17 72.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.96 . . . . 0.0 110.153 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -66.99 -36.02 81.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.158 -0.964 . . . . 0.0 110.112 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.33 46.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.147 -0.971 . . . . 0.0 109.912 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.51 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -59.63 -20.53 56.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.032 -1.042 . . . . 0.0 109.306 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.41 -36.22 63.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 108.003 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.21 -38.88 55.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.722 -0.611 . . . . 0.0 109.668 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -34.4 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.216 -0.928 . . . . 0.0 110.543 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -65.29 -48.09 74.36 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.316 -1.49 . . . . 0.0 109.414 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.21 -28.16 73.65 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' O ' ' OG1' ' A' ' 100' ' ' THR . 55.6 tp -61.75 -36.56 81.37 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.284 -1.127 . . . . 0.0 108.978 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.41 -33.83 60.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.304 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -52.71 -29.53 27.35 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 28.3 p -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.616 0.722 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.505 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 36.1 mt-10 -130.23 78.23 74.89 Favored Pre-proline 0 N--CA 1.501 2.091 0 O-C-N 121.931 -0.481 . . . . 0.0 110.228 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.59 -17.58 60.03 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.59 1.526 . . . . 0.0 110.472 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.1 10.03 37.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.067 -1.021 . . . . 0.0 110.337 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 27.3 t-20 -81.65 112.83 19.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.89 -1.131 . . . . 0.0 109.479 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.99 -43.27 71.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 110.681 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -56.4 -33.29 65.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.085 . . . . 0.0 109.93 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 104' ' ' ASN . . . -79.44 -38.72 34.02 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.094 -1.004 . . . . 0.0 109.541 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -68.1 -46.35 71.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 110.007 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.15 -37.63 83.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.057 -1.027 . . . . 0.0 109.438 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.31 -41.14 96.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.56 -28.85 68.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.198 -0.938 . . . . 0.0 109.347 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -71.61 -44.59 64.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.703 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.178 -0.951 . . . . 0.0 109.164 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.51 HG21 ' CD1' ' A' ' 91' ' ' LEU . 39.0 mt -65.18 -52.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.509 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -40.2 68.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -55.51 -48.06 75.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.41 -49.15 78.33 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.484 ' SD ' ' CD2' ' A' ' 87' ' ' TYR . 24.9 mmm -48.11 -48.8 33.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.486 -0.759 . . . . 0.0 110.207 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? . . . . . 0 N--CA 1.49 1.533 0 O-C-N 120.559 -1.338 . . . . 0.0 109.315 179.65 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 m -65.67 135.62 55.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.358 -0.838 . . . . 0.0 109.384 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.74 -29.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.069 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.65 -42.16 95.61 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.068 -1.02 . . . . 0.0 108.763 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.31 -43.66 77.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.434 -0.791 . . . . 0.0 109.931 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -43.62 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.88 -1.138 . . . . 0.0 109.82 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.41 -37.68 56.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.775 -1.203 . . . . 0.0 109.186 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.89 63.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.945 . . . . 0.0 108.676 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -71.5 -27.58 63.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.59 -38.35 74.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 0.0 108.522 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -54.11 -46.43 72.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -56.47 -48.44 77.11 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.101 -0.999 . . . . 0.0 108.768 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.35 -32.24 66.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.19 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.27 -52.91 10.91 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.85 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.19 -50.65 72.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.666 -1.271 . . . . 0.0 109.931 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 29' ' ' SER . 12.0 mm-40 -57.43 -52.1 66.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.135 -0.978 . . . . 0.0 108.797 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -58.38 -38.09 76.6 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.327 -0.858 . . . . 0.0 109.433 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.93 -40.71 70.2 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -15.25 17.75 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.79 47.47 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -151.59 159.42 44.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.99 . . . . 0.0 108.949 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -137.75 125.34 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.366 -0.834 . . . . 0.0 109.351 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -75.19 140.9 43.61 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.395 -0.816 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.06 -35.44 64.53 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.417 -0.802 . . . . 0.0 108.974 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.6 m -53.47 -35.98 61.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.934 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -49.03 16.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.102 -0.998 . . . . 0.0 109.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' HD21 ' A' ' 61' ' ' LEU . 7.6 tt0 -58.98 -38.29 78.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.25 -53.01 27.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 110.296 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.83 -16.82 60.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.017 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.42 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 30.7 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.044 -1.035 . . . . 0.0 109.126 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.091 -1.006 . . . . 0.0 109.03 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.7 -44.98 77.91 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.331 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.7 m -54.46 -43.92 72.1 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.634 -0.666 . . . . 0.0 110.408 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 mt -76.96 -39.75 49.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.905 -1.122 . . . . 0.0 110.459 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' ALA . 62.0 t -52.74 -21.29 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.059 -1.025 . . . . 0.0 109.763 -179.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -108.63 28.51 8.32 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 p -86.08 161.56 18.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.655 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -82.91 -6.28 59.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -106.85 140.23 40.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -71.11 -45.0 64.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.351 -0.843 . . . . 0.0 110.309 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.01 -35.82 36.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.88 -32.05 63.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.843 -1.16 . . . . 0.0 108.934 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.83 -47.84 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.976 -1.078 . . . . 0.0 108.709 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.5 OUTLIER -52.47 -38.38 59.24 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -71.33 -36.58 71.61 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.13 -39.27 97.77 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.8 -33.23 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.892 -1.358 . . . . 0.0 108.111 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.92 -50.06 51.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.7 mt -48.68 -50.22 34.2 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.75 -45.33 90.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.024 -1.047 . . . . 0.0 109.545 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.76 -43.4 80.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.064 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.83 -34.74 65.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.139 -0.976 . . . . 0.0 110.256 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD21 ' NE2' ' A' ' 35' ' ' GLN . 20.9 mt -77.98 -27.46 49.09 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.207 -0.933 . . . . 0.0 111.687 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -49.64 -53.77 38.02 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.69 -1.257 . . . . 0.0 111.169 -177.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.7 Cg_exo -58.6 -21.07 53.26 Favored 'Trans proline' 0 C--N 1.315 -1.196 0 N-CA-C 110.018 -0.801 . . . . 0.0 110.018 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -106.84 -5.93 18.03 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.306 -0.871 . . . . 0.0 111.407 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 149.1 23.57 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.051 -1.264 . . . . 0.0 109.054 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.06 -46.49 28.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.755 -1.216 . . . . 0.0 109.477 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.412 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 6.3 mp0 -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.73 -49.19 78.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.934 -1.104 . . . . 0.0 108.505 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.26 -33.2 40.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.19 -0.944 . . . . 0.0 108.905 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.02 -47.42 20.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.284 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.1 m-85 -54.31 -45.05 72.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.75 -33.52 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.145 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.93 -50.47 68.54 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.717 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -68.8 -35.25 76.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.673 -1.267 . . . . 0.0 110.044 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.44 -44.71 92.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.107 -0.995 . . . . 0.0 109.427 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.82 71.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.086 -1.009 . . . . 0.0 108.891 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.43 -46.2 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.874 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.15 94.76 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.21 -28.49 67.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -1.189 . . . . 0.0 109.505 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 4.0 t80 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.544 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.68 -42.41 58.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 110.096 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.53 ' C ' ' H ' ' A' ' 86' ' ' GLU . 39.5 mt -67.17 31.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.993 -1.067 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 83' ' ' ARG . 15.2 ttpp 56.82 -0.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.043 . . . . 0.0 110.173 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 84' ' ' LEU . 50.3 mm-40 -78.23 91.84 4.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.895 -1.128 . . . . 0.0 109.027 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -84.49 -36.71 22.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.51 -51.23 37.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.735 -1.228 . . . . 0.0 110.145 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.93 -47.86 78.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 110.216 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.41 -36.1 61.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.961 -1.087 . . . . 0.0 109.865 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.12 -17.28 59.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.087 -1.008 . . . . 0.0 109.734 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -65.63 -39.83 91.89 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.24 -33.42 56.09 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.832 -0.543 . . . . 0.0 109.569 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -39.55 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.037 -1.039 . . . . 0.0 109.011 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.51 -46.83 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 109.218 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.61 -27.96 73.48 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' OG1' ' A' ' 100' ' ' THR . 40.0 tp -61.76 -36.12 80.11 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.209 -1.171 . . . . 0.0 108.988 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.8 mt -75.82 -35.78 59.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.848 -1.158 . . . . 0.0 109.37 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -52.94 -27.89 20.99 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 20.1 p -92.14 -44.97 8.51 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.627 0.727 . . . . 0.0 109.086 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.98 76.85 76.32 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.914 -0.491 . . . . 0.0 110.141 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.8 -21.26 58.25 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.334 1.356 . . . . 0.0 109.679 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.4 -1.31 55.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.666 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -71.89 99.93 2.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.517 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -67.42 -37.39 82.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.604 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -56.29 -45.89 80.01 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.15 -0.969 . . . . 0.0 109.372 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.54 84.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.472 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.35 -35.28 75.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.14 -51.67 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.19 -37.52 64.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.449 -0.782 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.222 -0.924 . . . . 0.0 108.772 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -72.55 -48.57 39.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.328 -0.857 . . . . 0.0 109.455 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 108.812 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.2 -38.86 81.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.627 -0.67 . . . . 0.0 109.724 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -75.28 -44.54 45.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 109.634 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -56.4 -52.13 65.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.925 . . . . 0.0 109.416 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.24 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 29.9 ttm -48.4 -42.94 33.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.68 -0.638 . . . . 0.0 110.361 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 N--CA 1.492 1.644 0 O-C-N 120.621 -1.299 . . . . 0.0 109.67 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.8 m -89.43 128.01 35.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 108.81 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.53 -23.06 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 108.895 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 48.7 mt-10 -66.49 -45.98 77.82 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.403 -0.811 . . . . 0.0 109.261 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -67.8 -50.69 55.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.121 -0.987 . . . . 0.0 110.492 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mm? -54.35 -48.97 70.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.933 -1.104 . . . . 0.0 109.439 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LYS . 58.6 mt -77.73 -42.39 34.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.951 -1.093 . . . . 0.0 110.513 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.0 tmmm? -51.63 -47.48 63.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.619 -1.301 . . . . 0.0 108.642 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 26.8 m-85 -67.32 -29.06 68.53 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -75.16 -34.61 61.61 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . 44.6 tttt -54.4 -45.99 73.04 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -62.59 -46.75 86.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.58 -38.89 60.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.363 -0.835 . . . . 0.0 109.329 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.41 -51.66 19.41 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.291 -0.881 . . . . 0.0 110.346 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -65.06 -35.63 81.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.782 -1.198 . . . . 0.0 109.647 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' SER . 45.0 mm-40 -59.04 -49.86 76.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.812 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -63.34 -33.6 75.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.062 . . . . 0.0 108.914 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.72 82.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.47 -16.77 26.13 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.8 15.46 52.39 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLU . 75.0 m -151.94 157.19 41.44 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.391 -1.064 . . . . 0.0 109.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.41 121.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.433 -0.792 . . . . 0.0 109.603 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.5 p -80.87 142.35 33.7 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.534 -0.729 . . . . 0.0 109.409 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -55.59 -30.47 60.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.345 -0.847 . . . . 0.0 109.135 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -54.24 -48.53 71.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -65.08 -49.93 68.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.085 -1.009 . . . . 0.0 110.202 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -55.47 -46.57 76.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.156 -0.965 . . . . 0.0 109.64 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.82 -49.45 76.24 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.449 -0.782 . . . . 0.0 110.556 -179.424 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.563 ' O ' ' NE1' ' A' ' 40' ' ' TRP . 18.6 mm-40 -68.26 -23.39 64.77 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.988 0.899 . . . . 0.0 110.785 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CE2' HD11 ' A' ' 42' ' ' LEU . 52.3 t80 -84.14 -28.11 27.67 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.563 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.15 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.919 -1.113 . . . . 0.0 110.925 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' NE1' ' O ' ' A' ' 37' ' ' GLU . 9.9 p-90 -57.63 -39.41 76.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.553 -1.342 . . . . 0.0 108.227 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 84.5 m -56.42 -39.28 72.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.857 . . . . 0.0 110.921 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 38' ' ' TYR . 13.7 mt -70.76 -57.67 4.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.762 -1.211 . . . . 0.0 110.268 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.528 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 16.7 m -52.75 -14.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.223 -0.923 . . . . 0.0 108.561 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 42.4 ttt180 -81.17 10.86 4.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 28.9 t -104.26 -146.96 0.38 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.158 -0.964 . . . . 0.0 109.098 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -146.3 10.9 1.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.071 -1.018 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 80.4 m-85 -99.71 120.59 39.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.221 -0.924 . . . . 0.0 108.976 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -49.09 -49.29 42.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 0.0 110.806 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.05 -41.6 62.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.77 -1.206 . . . . 0.0 111.007 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -71.74 -50.1 33.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.875 -1.14 . . . . 0.0 109.521 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' A' ' 50' ' ' ASP . 24.0 mt -60.31 -46.34 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.518 -0.739 . . . . 0.0 109.157 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -52.38 -55.05 24.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.981 . . . . 0.0 108.458 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -54.94 -36.49 65.34 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.63 -40.27 87.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.4 mm -58.33 -53.67 43.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.05 -1.265 . . . . 0.0 108.712 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -54.16 -49.86 59.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.569 0.7 . . . . 0.0 109.223 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.57 -50.43 42.41 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.499 -0.751 . . . . 0.0 110.01 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.81 -41.04 65.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.694 -1.254 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.75 -40.24 94.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.941 -1.099 . . . . 0.0 110.114 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -62.0 -35.41 78.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.84 -28.35 55.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.191 -0.943 . . . . 0.0 111.699 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -52.03 -53.97 45.99 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.833 -1.167 . . . . 0.0 111.555 -177.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -53.45 -19.55 13.61 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 N-CA-C 110.039 -0.793 . . . . 0.0 110.039 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -116.66 7.34 13.53 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.401 -0.812 . . . . 0.0 110.612 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.99 150.32 20.93 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -70.15 -168.93 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.995 -1.297 . . . . 0.0 108.486 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -75.73 -46.92 28.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.592 -1.318 . . . . 0.0 109.076 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -58.68 -49.4 77.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.452 -0.78 . . . . 0.0 109.523 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.84 -29.84 68.55 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.165 -0.959 . . . . 0.0 108.686 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -56.01 -52.28 64.78 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -53.54 -33.1 53.39 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.394 -0.816 . . . . 0.0 108.801 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -77.67 -49.78 13.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.929 . . . . 0.0 109.1 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 34.9 m-85 -52.01 -49.5 63.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.952 . . . . 0.0 108.606 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.01 -32.13 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.43 -50.22 47.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 0.0 110.592 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -66.79 -34.45 77.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.656 -1.278 . . . . 0.0 109.008 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.13 -46.6 88.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.918 . . . . 0.0 109.994 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.3 67.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.072 . . . . 0.0 109.181 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.66 -45.88 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.921 . . . . 0.0 109.54 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.27 98.09 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -72.2 -29.73 64.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -1.234 . . . . 0.0 109.492 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.8 t80 -66.23 -30.21 70.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.947 . . . . 0.0 108.93 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 43' ' ' VAL . 27.2 ttm180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.0 109.589 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 86' ' ' GLU . 92.3 mt -70.09 26.66 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 110.036 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 83' ' ' ARG . 64.6 mttt 57.98 1.39 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.0 109.852 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -76.51 92.62 3.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.062 -1.023 . . . . 0.0 108.89 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.92 -36.72 21.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 110.209 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.67 -51.25 60.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.839 -1.163 . . . . 0.0 109.985 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -68.71 -46.86 67.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.099 -1.001 . . . . 0.0 110.204 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.37 67.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.949 -1.095 . . . . 0.0 109.82 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.6 mt -72.8 -17.8 61.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.118 -0.988 . . . . 0.0 109.717 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -65.07 -40.08 94.17 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -77.34 -33.88 55.36 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -38.21 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.239 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.01 -46.04 89.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.35 -1.469 . . . . 0.0 108.785 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.15 -28.19 73.44 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 33.9 tp -60.96 -36.27 78.94 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.197 -1.178 . . . . 0.0 109.088 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.98 -35.44 59.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.745 -1.222 . . . . 0.0 109.384 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -54.48 -24.97 22.61 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 34.0 p -94.93 -48.3 6.06 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -129.01 77.58 77.7 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.802 -0.561 . . . . 0.0 110.126 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.36 -22.83 52.15 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 121.269 1.313 . . . . 0.0 109.57 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -80.4 -3.36 49.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 106' ' ' GLN . 59.0 t-20 -72.03 99.23 2.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.375 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.763 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.5 OUTLIER -68.33 -35.74 78.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 0.0 109.532 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.679 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 2.7 mp0 -56.28 -43.06 78.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.186 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.02 84.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.476 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -56.34 -44.27 79.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.282 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.48 -51.07 67.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -51.07 -38.85 54.09 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.96 -32.35 73.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.053 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.18 -46.65 55.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 109.556 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.66 -46.32 81.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 108.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.09 -38.36 81.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.9 -40.47 68.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.482 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -56.6 -52.71 63.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.636 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.74 79.28 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.2 ttm -47.75 -46.93 30.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.729 -0.607 . . . . 0.0 110.354 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.408 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.7 mptm? . . . . . 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.08 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m -70.5 133.53 46.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.259 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.39 -26.86 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.316 -0.865 . . . . 0.0 108.933 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -68.62 -46.3 69.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.168 -0.958 . . . . 0.0 109.005 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.3 -48.07 79.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.291 -0.881 . . . . 0.0 110.262 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 109.711 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.44 -38.62 55.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.751 -1.218 . . . . 0.0 109.182 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -50.86 -52.23 43.68 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 27.0 m-85 -64.03 -27.99 69.49 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.83 -34.57 64.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.29 -0.881 . . . . 0.0 108.674 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -54.25 -47.85 71.79 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' OE2' ' A' ' 24' ' ' GLU . 12.8 mtmt -63.7 -48.18 78.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 108.653 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -52.67 -40.37 62.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.206 -0.933 . . . . 0.0 109.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -70.78 -52.3 21.52 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.387 -0.821 . . . . 0.0 110.002 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 t -58.76 -42.1 88.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.41 -43.8 79.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 108.763 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -62.12 -36.02 80.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.095 -1.003 . . . . 0.0 108.619 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.1 -45.62 75.46 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.84 26.74 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.16 55.49 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.46 158.48 42.66 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.517 -0.99 . . . . 0.0 109.536 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -139.35 118.2 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.449 -0.782 . . . . 0.0 109.602 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -71.93 142.8 49.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.572 -0.705 . . . . 0.0 109.414 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -57.33 -17.86 14.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -66.54 -49.2 67.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.86 . . . . 0.0 110.092 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 6.6 m -67.87 -36.28 80.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.106 -0.996 . . . . 0.0 109.981 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.082 -1.011 . . . . 0.0 110.845 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 73' ' ' TYR . 6.8 m-85 -64.03 -51.12 65.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.179 -0.951 . . . . 0.0 110.684 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 pp20? -62.2 -15.18 44.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 42' ' ' LEU . 41.3 t80 -85.07 -29.07 25.2 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.156 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -75.73 -50.58 14.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.897 -1.127 . . . . 0.0 110.783 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' NE1' ' SG ' ' A' ' 41' ' ' CYS . 2.7 p-90 -57.36 -38.55 74.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.234 -1.541 . . . . 0.0 108.011 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 91.3 m -60.26 -38.07 82.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.135 -0.978 . . . . 0.0 110.421 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.9 mt -77.74 -56.88 4.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.985 -1.072 . . . . 0.0 111.177 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 m -52.34 -16.25 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 109.69 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -92.95 14.47 17.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.378 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 31.1 t -90.85 -151.5 0.25 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.004 -1.06 . . . . 0.0 109.469 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' NZ ' ' CZ ' ' A' ' 47' ' ' TYR . 21.7 pttp -131.8 1.42 3.99 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.539 -0.726 . . . . 0.0 109.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' NZ ' ' A' ' 46' ' ' LYS . 80.7 m-85 -98.34 121.32 40.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.302 -0.874 . . . . 0.0 108.992 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.74 -49.62 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 110.233 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.99 -33.67 39.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.96 -1.087 . . . . 0.0 110.454 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.95 -29.49 68.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.977 -1.077 . . . . 0.0 109.467 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.36 -45.59 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.111 -0.993 . . . . 0.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mtt-85 -54.15 -26.22 26.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -86.43 -45.69 10.92 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 108.874 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.63 95.96 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.139 -1.185 . . . . 0.0 110.139 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.01 -40.1 80.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.035 -1.274 . . . . 0.0 108.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' ARG . 53.2 t -66.42 -45.94 87.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 25.7 mt -49.9 -42.33 47.82 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -74.57 -39.33 62.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.921 -1.112 . . . . 0.0 109.72 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -59.32 -37.56 78.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.09 -1.006 . . . . 0.0 109.991 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -68.99 -35.57 76.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 110.12 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.5 -28.96 56.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 111.167 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -51.78 -55.37 30.72 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.785 -1.197 . . . . 0.0 111.808 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -52.63 -37.9 75.35 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.798 0.998 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -99.2 55.02 0.98 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 157.14 27.16 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 m -70.67 -177.94 1.69 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.14 -1.212 . . . . 0.0 109.232 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -75.46 -41.93 54.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.946 -1.096 . . . . 0.0 109.504 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.535 ' CD ' HH12 ' A' ' 71' ' ' ARG . 4.4 tm-20 -67.65 -49.76 61.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 108.857 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.2 -31.08 65.11 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.347 -0.846 . . . . 0.0 109.283 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.33 -46.57 82.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.157 -0.964 . . . . 0.0 108.949 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.535 HH12 ' CD ' ' A' ' 68' ' ' GLU . 2.2 mtm-85 -52.33 -30.3 27.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.048 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.48 -51.64 22.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 109.3 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 36' ' ' PHE . 3.0 m-85 -59.49 -29.41 67.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 0.0 109.215 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.77 -41.96 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 108.651 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.3 -49.8 76.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.672 -0.642 . . . . 0.0 110.613 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -62.83 -39.71 95.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.765 -1.21 . . . . 0.0 110.49 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.29 -44.77 95.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.001 -1.062 . . . . 0.0 109.584 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.43 62.27 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.056 -1.027 . . . . 0.0 108.865 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.64 -42.07 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.65 98.53 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -68.34 -29.44 68.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.247 . . . . 0.0 109.438 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.19 -29.65 69.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -72.66 -47.71 45.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 86' ' ' GLU . 47.7 mt -71.8 31.6 0.05 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.979 -1.076 . . . . 0.0 110.064 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 87' ' ' TYR . 58.8 mttt 61.77 -16.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.307 -0.87 . . . . 0.0 110.633 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -57.74 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.741 -1.225 . . . . 0.0 108.498 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' LYS . 49.5 m-85 -82.46 -37.56 25.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 110.205 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.63 -51.51 34.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.865 -1.147 . . . . 0.0 110.467 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.79 -37.68 82.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.093 -1.004 . . . . 0.0 110.231 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.67 94.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.843 -1.161 . . . . 0.0 109.873 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ARG . 65.2 mt -70.01 -18.62 63.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.09 -40.02 90.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -31.91 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 109.776 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LEU . 17.8 mmm-85 -68.75 -48.61 63.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.613 -1.304 . . . . 0.0 109.731 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.72 -29.63 75.02 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.206 -1.557 . . . . 0.0 109.206 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 25.7 tp -59.6 -39.69 85.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.504 -0.998 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ALA . 72.5 mt -75.85 -28.09 58.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.829 -1.17 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.59 -28.58 63.75 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 72.4 p -86.87 -50.88 6.41 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.713 -0.617 . . . . 0.0 109.587 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -130.8 77.35 75.66 Favored Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.701 -0.625 . . . . 0.0 110.212 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.48 -8.61 21.35 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.405 1.403 . . . . 0.0 109.793 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -89.09 -6.84 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 7.1 t-20 -72.89 105.13 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.167 -0.958 . . . . 0.0 109.563 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.7 -36.51 78.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -0.891 . . . . 0.0 109.661 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -56.88 -49.22 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.457 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.451 ' HB2' ' OD1' ' A' ' 104' ' ' ASN . . . -56.94 -39.92 75.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.58 -40.19 95.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 0.0 109.171 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.62 -51.84 67.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.363 -0.836 . . . . 0.0 109.422 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.67 -37.84 59.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.53 -0.731 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.04 -38.89 92.33 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.039 -1.038 . . . . 0.0 109.102 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -54.81 -51.67 65.07 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.334 -0.853 . . . . 0.0 109.618 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.2 -44.01 87.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.0 -34.57 64.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.51 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.02 -49.49 19.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -55.81 -51.46 67.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.83 78.21 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.6 ttm -49.0 -48.38 43.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.529 -0.732 . . . . 0.0 110.345 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 66.1 mttm . . . . . 0 N--CA 1.49 1.544 0 O-C-N 120.542 -1.349 . . . . 0.0 109.502 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.22 0.533 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 m -64.54 135.26 55.82 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.939 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.68 -25.81 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.193 -0.942 . . . . 0.0 109.17 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 42.7 mt-10 -68.6 -45.97 70.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.12 -0.988 . . . . 0.0 109.49 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.73 -43.04 99.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.222 -0.924 . . . . 0.0 110.742 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -70.85 -44.31 66.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.87 -1.144 . . . . 0.0 109.913 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -78.38 -30.35 47.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.717 -1.24 . . . . 0.0 110.156 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.5 ttpt -55.13 -55.16 34.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.884 -1.135 . . . . 0.0 109.236 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.9 -24.53 63.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 108.808 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -72.22 -33.83 67.88 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -47.25 76.62 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -61.04 -47.84 84.52 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.095 -1.003 . . . . 0.0 109.069 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.76 -32.49 52.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.253 -0.904 . . . . 0.0 109.564 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -72.67 -52.09 16.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.28 -0.888 . . . . 0.0 109.625 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 p -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.808 -1.182 . . . . 0.0 109.791 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 29' ' ' SER . 42.2 mt-10 -58.82 -43.55 90.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 0.0 109.124 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -69.7 -40.01 76.56 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.187 -0.946 . . . . 0.0 108.906 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.82 68.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -14.41 26.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.72 16.93 53.87 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.0 m -156.07 123.71 5.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.426 -1.044 . . . . 0.0 109.489 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -107.26 122.39 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.747 . . . . 0.0 109.543 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.5 p -70.57 137.75 50.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -58.82 -18.61 33.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.371 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -64.63 -48.62 74.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.627 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' TYR . 21.7 m -71.64 -39.62 70.24 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.135 -0.978 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.94 -39.04 65.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 109.369 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.2 m-85 -74.08 -50.1 21.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.234 -0.916 . . . . 0.0 109.888 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.17 -16.72 62.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 109.009 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 10.6 t80 -78.86 -31.66 45.68 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -74.11 -38.88 63.71 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.213 -0.929 . . . . 0.0 108.86 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.477 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.19 -54.13 40.4 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.531 ' SG ' HD23 ' A' ' 14' ' ' LEU . 11.3 p -53.73 -39.09 64.99 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.725 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.2 mt -78.17 -36.81 47.07 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 110.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.2 t -49.7 -22.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 45' ' ' SER . 44.2 mtp180 -94.41 -105.63 0.14 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 47' ' ' TYR . 8.7 t 57.94 124.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.532 -0.73 . . . . 0.0 110.285 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -64.08 3.97 0.37 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 45' ' ' SER . 77.9 m-85 -110.57 138.09 47.42 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.549 -0.72 . . . . 0.0 109.457 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -71.91 -48.29 46.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.925 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -52.45 -33.75 45.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.864 -1.148 . . . . 0.0 110.557 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.25 -29.17 69.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 109.082 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.9 mt -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.117 -0.989 . . . . 0.0 108.788 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -50.69 -52.95 35.31 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -51.72 -44.31 63.18 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.78 -42.92 59.95 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.81 -54.45 34.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 120.903 -1.351 . . . . 0.0 108.83 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.53 -51.89 64.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.542 0.687 . . . . 0.0 109.199 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 43.7 mt -48.67 -48.11 40.21 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.544 -0.722 . . . . 0.0 109.672 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.21 -45.04 35.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.858 -1.151 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -55.97 -31.66 63.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.814 -1.179 . . . . 0.0 110.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -73.51 -37.33 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -0.996 . . . . 0.0 110.006 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.25 -29.46 57.5 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.084 -1.01 . . . . 0.0 111.16 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.8 mp -50.5 -55.75 23.78 Favored Pre-proline 0 N--CA 1.486 1.342 0 O-C-N 120.629 -1.294 . . . . 0.0 110.856 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.3 Cg_exo -53.51 -25.55 32.87 Favored 'Trans proline' 0 C--N 1.321 -0.881 0 N-CA-C 109.964 -0.821 . . . . 0.0 109.964 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -99.11 33.05 2.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.274 -0.891 . . . . 0.0 109.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 156.85 23.28 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -79.85 -168.13 1.5 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -1.133 . . . . 0.0 109.294 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -73.84 -39.02 64.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.076 -1.015 . . . . 0.0 109.737 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -72.77 -41.57 64.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 108.793 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.88 -35.42 76.57 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.637 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.46 -40.63 85.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.1 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 12.2 ttp180 -51.87 -34.77 42.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.927 . . . . 0.0 108.712 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -76.85 -51.33 11.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.003 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.517 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.7 m-85 -62.76 -40.16 96.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 0.0 109.851 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.08 -36.79 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.015 -1.053 . . . . 0.0 108.628 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -59.42 -45.0 92.77 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.647 -0.658 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -70.0 -37.27 75.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.956 -1.09 . . . . 0.0 110.289 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.05 -44.94 94.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.049 . . . . 0.0 109.145 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.74 -34.95 71.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.152 -0.968 . . . . 0.0 108.995 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.54 -38.69 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.43 -44.79 63.09 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -66.05 -28.97 69.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 0.0 109.066 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -68.64 -30.35 69.03 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.873 . . . . 0.0 109.121 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 85' ' ' LYS . 8.7 tpm_? -68.68 -43.21 76.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.63 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 86' ' ' GLU . 54.9 mt -71.79 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.243 -0.911 . . . . 0.0 110.025 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.9 mttm 59.46 -1.97 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.899 . . . . 0.0 110.312 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -72.84 93.82 1.74 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.896 -1.127 . . . . 0.0 108.913 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -84.97 -36.9 21.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.508 -0.745 . . . . 0.0 109.961 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 20.6 mp0 -67.15 -39.76 86.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 110.588 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -76.68 -46.24 26.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.11 67.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 114' ' ' ILE . 6.4 mp -54.8 -52.09 63.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 108.59 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -44.18 -34.31 1.81 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.67 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -76.33 -48.93 18.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.999 -1.063 . . . . 0.0 108.784 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -28.36 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.458 -0.776 . . . . 0.0 110.071 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.02 -47.47 71.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.691 -1.256 . . . . 0.0 109.603 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.63 -28.6 72.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' ' OG1' ' A' ' 100' ' ' THR . 30.0 tp -59.68 -37.21 78.17 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.498 -1.001 . . . . 0.0 108.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 88.7 mt -76.77 -33.3 58.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.782 -1.199 . . . . 0.0 109.557 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -53.43 -26.16 18.83 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 80.2 p -86.52 -50.96 6.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 56.7 mt-10 -132.47 79.34 65.47 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.721 -0.612 . . . . 0.0 109.831 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.4 -16.61 48.39 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.16 1.24 . . . . 0.0 109.682 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -81.86 1.6 34.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -79.82 103.01 9.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.072 -1.018 . . . . 0.0 109.698 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.23 -35.29 68.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.886 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.21 -35.79 67.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.15 -0.969 . . . . 0.0 109.314 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -75.77 -28.07 58.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.121 -0.987 . . . . 0.0 109.105 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -71.48 -50.14 34.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 109.837 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -32.33 67.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.014 -1.054 . . . . 0.0 109.312 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.14 -43.29 99.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 108.894 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -54.27 -38.51 65.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -62.01 -50.99 69.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 110.404 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.56 -49.17 73.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.011 -1.056 . . . . 0.0 109.228 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 91' ' ' LEU . 51.9 mt -67.33 -40.9 85.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.415 -0.803 . . . . 0.0 109.255 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.08 -46.2 68.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.853 . . . . 0.0 109.517 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -56.35 -51.8 66.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.22 -0.925 . . . . 0.0 109.472 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.01 77.8 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.12 -1.032 . . . . 0.0 108.233 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.8 ttm -46.48 -40.39 12.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.466 -0.771 . . . . 0.0 110.312 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.49 1.535 0 O-C-N 120.672 -1.267 . . . . 0.0 110.336 -179.627 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.261 0.553 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -76.19 130.26 37.97 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.51 -24.62 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.179 -0.951 . . . . 0.0 108.892 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.558 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 mp0 -66.78 -45.84 77.2 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.285 -0.885 . . . . 0.0 109.008 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.93 -35.86 80.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.284 -0.885 . . . . 0.0 110.117 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.03 -49.46 57.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LYS . 60.9 mt -78.33 -31.81 48.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 110.518 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.8 ttpt -54.12 -53.23 56.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.017 -1.052 . . . . 0.0 110.065 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -74.87 -26.95 60.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.986 -1.071 . . . . 0.0 109.638 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.71 -32.42 62.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.8 -48.02 76.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -61.22 -47.81 84.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.242 -0.911 . . . . 0.0 109.033 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -52.95 -35.05 58.27 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.193 -0.942 . . . . 0.0 109.447 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.35 -52.47 13.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.267 -0.895 . . . . 0.0 109.766 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -61.17 -49.39 77.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.853 -1.155 . . . . 0.0 109.591 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 59.4 mt-10 -58.21 -51.2 70.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.209 -0.932 . . . . 0.0 109.088 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -59.0 -40.32 84.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.069 -1.019 . . . . 0.0 108.994 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.68 66.99 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.62 47.97 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.87 9.89 51.05 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.0 t -152.56 158.32 42.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.6 t -140.57 128.36 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.281 -0.887 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.1 p -70.52 139.48 51.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.435 -0.791 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -57.74 -18.2 19.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.407 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -66.55 -48.43 69.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -64.59 -41.78 96.02 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.192 -0.942 . . . . 0.0 109.722 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -56.95 -42.17 79.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.092 -1.005 . . . . 0.0 109.233 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.2 m-85 -71.66 -50.06 34.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.239 -0.913 . . . . 0.0 109.796 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 38.7 mt-10 -71.82 -15.39 62.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.079 -1.013 . . . . 0.0 109.927 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 20.1 t80 -77.75 -35.34 51.88 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.839 -1.163 . . . . 0.0 108.794 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.45 -37.92 65.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.387 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.642 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.44 -53.15 59.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.975 -1.078 . . . . 0.0 108.441 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 4.1 m -53.83 -39.45 65.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 mt -77.75 -45.28 25.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 110.127 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 39' ' ' ALA . 99.6 t -54.17 -24.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.074 -1.016 . . . . 0.0 109.905 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.642 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 30.2 ttm180 -97.23 22.44 8.63 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.535 -0.728 . . . . 0.0 109.319 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 p -94.33 151.54 19.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.958 -1.088 . . . . 0.0 109.352 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -78.81 -4.31 48.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -92.93 138.17 31.72 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -0.912 . . . . 0.0 109.054 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.714 ' H ' HD22 ' A' ' 48' ' ' ASN . 0.8 OUTLIER -71.05 -48.98 49.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.782 -178.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -52.3 -36.67 53.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.889 -1.132 . . . . 0.0 110.724 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.19 -32.1 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.972 -1.08 . . . . 0.0 109.366 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -78.48 -39.61 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.927 -1.108 . . . . 0.0 108.781 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -52.13 -54.24 32.98 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.36 -40.34 74.37 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.74 -40.59 64.26 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.63 -56.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 O-C-N 120.762 -1.434 . . . . 0.0 108.962 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 25.3 t -51.63 -51.4 26.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.5 mt -47.96 -49.85 29.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -44.17 43.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.896 -1.128 . . . . 0.0 109.996 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -51.99 -39.95 60.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.996 -1.065 . . . . 0.0 110.224 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 56' ' ' VAL . 1.4 mp0 -72.95 -31.55 64.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.91 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 36' ' ' PHE . 42.0 mt -75.35 -30.54 60.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.95 -1.094 . . . . 0.0 111.041 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -52.38 -55.7 29.32 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 120.73 -1.231 . . . . 0.0 111.25 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.2 Cg_endo -55.43 -28.32 63.15 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 CA-C-N 119.466 0.845 . . . . 0.0 110.262 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -96.42 35.15 1.51 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.167 -0.958 . . . . 0.0 109.845 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.38 -135.37 3.74 Favored Glycine 0 N--CA 1.5 2.931 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 p -147.36 -169.51 3.33 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.329 -1.1 . . . . 0.0 108.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -75.46 -44.43 44.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -73.88 -47.34 38.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.75 -30.92 64.06 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 108.724 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -52.8 -31.72 40.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.65 -52.82 8.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 109.663 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.2 m-85 -60.24 -38.29 82.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.068 -1.02 . . . . 0.0 108.957 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.83 -37.35 59.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.67 -49.0 79.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.726 -0.609 . . . . 0.0 110.564 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -68.28 -37.03 80.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.722 -1.236 . . . . 0.0 110.158 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.4 -45.07 92.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.99 -1.069 . . . . 0.0 109.436 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.32 72.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.144 -0.973 . . . . 0.0 109.343 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.45 -41.3 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 109.773 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.59 -43.58 91.83 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -67.43 -26.54 66.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 0.0 109.56 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -68.94 -32.76 72.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.357 -0.839 . . . . 0.0 109.392 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 34.8 mtt180 -75.3 -45.96 36.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.064 -1.022 . . . . 0.0 109.51 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 86' ' ' GLU . 36.9 mt -65.94 28.59 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 110.522 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 44.3 mttm 55.07 4.41 0.08 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.894 -1.129 . . . . 0.0 109.767 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 84' ' ' LEU . 92.5 mt-10 -82.01 83.72 7.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -0.961 . . . . 0.0 108.989 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -78.95 -37.2 40.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.332 -0.855 . . . . 0.0 109.742 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.65 -50.87 72.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.948 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.15 -42.84 75.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 109.563 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.37 86.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.583 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -70.55 -19.41 62.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.007 . . . . 0.0 109.078 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' HH21 ' A' ' 95' ' ' ARG . 59.7 tttp -75.65 -37.46 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.981 -1.074 . . . . 0.0 108.441 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -75.89 -37.74 58.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.656 -0.653 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -32.6 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.146 -0.972 . . . . 0.0 110.959 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 91' ' ' LEU . 52.5 mtm180 -71.64 -48.77 45.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.618 -1.301 . . . . 0.0 110.16 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.27 73.59 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 100' ' ' THR . 9.5 tp -58.0 -45.74 86.35 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.609 -0.936 . . . . 0.0 108.53 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.34 -35.33 77.62 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.919 -1.113 . . . . 0.0 109.996 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -49.56 -32.95 13.65 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 75.6 p -76.47 -48.35 19.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.468 -0.77 . . . . 0.0 109.001 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -131.73 76.01 75.21 Favored Pre-proline 0 N--CA 1.497 1.876 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.6 -19.65 38.19 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.302 1.334 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -79.74 5.8 12.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 0.0 109.663 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -80.23 106.42 12.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.122 -0.986 . . . . 0.0 109.493 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.766 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.6 OUTLIER -74.76 -36.84 62.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.0 109.854 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -56.15 -43.41 78.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 109.818 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.89 76.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.167 -0.958 . . . . 0.0 109.578 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.25 -38.73 92.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.782 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -62.33 -55.1 31.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.137 -0.977 . . . . 0.0 109.427 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.2 -42.7 51.89 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.556 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.019 -1.05 . . . . 0.0 108.959 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.88 -46.06 59.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.374 -0.829 . . . . 0.0 109.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.1 mt -57.22 -46.9 82.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.179 -0.951 . . . . 0.0 109.151 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.583 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.5 mt -63.26 -51.18 74.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.576 -0.702 . . . . 0.0 109.7 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.49 -37.61 65.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.841 . . . . 0.0 109.905 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.73 -52.71 64.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.044 -1.035 . . . . 0.0 109.915 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.9 75.19 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.0 mtp -49.27 -47.33 46.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.552 -0.717 . . . . 0.0 110.31 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? . . . . . 0 N--CA 1.489 1.511 0 O-C-N 120.678 -1.264 . . . . 0.0 109.281 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.64 75.92 0.42 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.257 -0.902 . . . . 0.0 109.47 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.71 120.78 16.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.227 -0.921 . . . . 0.0 109.443 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 36.5 t -75.03 111.69 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 0.0 109.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.47 160.93 30.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.258 -0.901 . . . . 0.0 109.415 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -79.72 67.68 5.56 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -0.91 . . . . 0.0 109.539 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -161.22 143.04 11.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.24 -87.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.658 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t -147.62 119.06 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.252 -0.905 . . . . 0.0 109.723 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.4 p -63.1 137.98 58.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.287 -0.883 . . . . 0.0 108.924 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.07 -27.14 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 109.168 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.06 -46.91 69.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 108.967 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.65 -37.84 88.96 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.361 -0.837 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.49 -49.3 56.07 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.1 -1.0 . . . . 0.0 109.524 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.4 mt -74.2 -29.89 61.95 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.919 -1.113 . . . . 0.0 109.423 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -50.83 -53.69 30.04 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 108.881 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -69.36 -25.15 64.04 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.153 -0.967 . . . . 0.0 108.744 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.25 -35.82 74.05 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -54.52 -48.56 71.79 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -58.76 -48.82 79.89 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.371 -0.831 . . . . 0.0 108.957 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -53.78 -34.06 57.88 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.216 -0.927 . . . . 0.0 109.157 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -53.17 11.67 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.843 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -58.74 -50.07 75.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.757 -1.214 . . . . 0.0 109.883 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' O ' ' A' ' 29' ' ' SER . 69.0 mt-10 -58.25 -51.93 67.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.085 -1.009 . . . . 0.0 108.95 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -58.19 -39.16 78.21 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.151 -0.968 . . . . 0.0 109.163 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.94 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.26 -14.75 28.56 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.98 10.71 45.23 Favored Glycine 0 N--CA 1.496 2.69 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -154.55 158.6 40.04 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.444 -1.033 . . . . 0.0 109.185 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.4 t -136.18 126.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.332 -0.855 . . . . 0.0 109.371 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.8 p -70.51 139.75 51.68 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.356 -0.84 . . . . 0.0 109.433 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -56.74 -30.22 63.34 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.281 -0.887 . . . . 0.0 109.194 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.2 t -54.38 -49.43 69.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.3 m -66.49 -39.89 88.96 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.152 -0.967 . . . . 0.0 109.202 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -58.38 -38.86 78.16 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.276 -0.89 . . . . 0.0 109.253 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 24.6 m-85 -71.63 -50.37 31.37 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.365 -0.835 . . . . 0.0 110.177 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -72.03 -15.01 62.03 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.134 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.485 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.6 t80 -78.82 -34.73 45.03 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.752 -1.218 . . . . 0.0 109.075 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.02 -38.3 66.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.145 -0.972 . . . . 0.0 109.175 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.656 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.19 -52.44 63.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.954 -1.092 . . . . 0.0 108.24 179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 m -53.51 -39.86 64.95 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.554 -0.716 . . . . 0.0 109.688 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 13.3 mt -77.44 -43.65 31.72 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -0.939 . . . . 0.0 110.054 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 39' ' ' ALA . 89.0 t -53.84 -20.12 3.6 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 O-C-N 120.964 -1.085 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 36.8 mtm180 -112.0 29.17 8.1 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.2 p -83.42 159.33 21.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.197 -0.939 . . . . 0.0 109.651 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -79.96 -6.69 57.99 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.377 -0.827 . . . . 0.0 109.102 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -106.2 142.2 36.29 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.393 -0.817 . . . . 0.0 109.365 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -71.22 -48.63 50.22 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.232 -0.918 . . . . 0.0 110.436 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -51.8 -31.32 26.76 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.923 -1.111 . . . . 0.0 110.525 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.79 -29.84 70.38 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.946 -1.096 . . . . 0.0 108.861 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -78.59 -40.62 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.264 -0.898 . . . . 0.0 108.579 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.0 mtt180 -54.55 -31.4 56.48 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -83.82 -40.88 18.15 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.92 79.0 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -73.15 -42.03 58.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.266 -1.137 . . . . 0.0 108.99 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 52' ' ' ARG . 89.9 t -64.9 -45.0 96.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.55 -50.08 43.56 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.631 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.6 mt -71.31 -41.41 69.95 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.853 -1.154 . . . . 0.0 109.849 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -50.65 -41.7 55.58 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 0.0 110.019 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.42 -28.71 62.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.086 -1.009 . . . . 0.0 110.018 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.8 mt -76.3 -31.13 58.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.171 -0.955 . . . . 0.0 110.829 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 5.6 mp -52.43 -55.77 28.82 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.709 -1.245 . . . . 0.0 111.063 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -58.06 -25.55 71.29 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 N-CA-C 109.532 -0.988 . . . . 0.0 109.532 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -85.36 -13.32 49.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.386 -0.821 . . . . 0.0 110.188 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.56 157.05 19.4 Favored Glycine 0 N--CA 1.499 2.871 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.1 m -70.63 -165.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.344 -1.092 . . . . 0.0 109.177 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -74.41 -37.94 63.23 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.028 -1.045 . . . . 0.0 109.736 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -71.85 -48.96 42.46 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.224 -0.923 . . . . 0.0 108.981 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.09 -30.53 62.16 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.324 -0.86 . . . . 0.0 109.035 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' HG23 ' A' ' 74' ' ' VAL . 31.8 mt-30 -72.34 -40.27 67.54 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.184 -0.948 . . . . 0.0 109.115 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.519 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 53.7 mtm180 -51.67 -34.2 37.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.134 -0.979 . . . . 0.0 109.39 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -76.44 -51.87 10.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.085 -1.009 . . . . 0.0 109.536 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.2 m-85 -63.1 -35.6 80.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.233 -0.917 . . . . 0.0 109.392 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 70' ' ' GLN . 26.2 t -58.59 -40.19 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.194 -0.941 . . . . 0.0 108.468 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -59.43 -43.21 93.15 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.792 -0.568 . . . . 0.0 110.587 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.804 -1.185 . . . . 0.0 110.417 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.54 -44.71 95.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.02 -1.05 . . . . 0.0 109.871 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.57 -33.27 73.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 65.2 t -75.75 -37.26 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.131 -0.98 . . . . 0.0 110.063 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.24 -42.72 65.61 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -76.38 -29.6 57.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.159 -1.201 . . . . 0.0 109.547 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -57.83 -44.0 86.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.344 -0.847 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.53 ' C ' ' H ' ' A' ' 85' ' ' LYS . 15.9 ptm180 -75.16 -36.38 61.54 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.072 -1.018 . . . . 0.0 110.445 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 86' ' ' GLU . 95.0 mt -67.52 32.06 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.721 -1.237 . . . . 0.0 110.46 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 83' ' ' ARG . 74.3 tttt 64.91 -37.56 0.22 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.224 -0.923 . . . . 0.0 110.338 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.5 95.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.738 -1.226 . . . . 0.0 108.687 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' LYS . 65.0 m-85 -84.15 -41.84 16.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.232 -0.917 . . . . 0.0 110.557 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.6 -43.78 75.72 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.219 -0.925 . . . . 0.0 110.762 -178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -54.11 -49.41 69.21 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.947 -1.096 . . . . 0.0 109.133 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.66 67.74 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 91' ' ' LEU . 14.3 tp -70.19 -23.9 63.04 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.499 -0.751 . . . . 0.0 109.637 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -77.61 -35.69 52.53 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.937 -1.102 . . . . 0.0 108.393 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -74.79 -39.87 61.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.652 -0.655 . . . . 0.0 109.644 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -33.28 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.244 -0.91 . . . . 0.0 110.278 -178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -72.46 -48.11 43.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.611 -1.306 . . . . 0.0 109.615 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.6 -30.7 78.63 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 108.467 -1.853 . . . . 0.0 108.467 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.0 tp -58.73 -37.32 75.9 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.621 -0.929 . . . . 0.0 108.776 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 107' ' ' ALA . 78.9 mt -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.738 -1.226 . . . . 0.0 109.402 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -53.32 -24.3 11.52 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 35.6 p -95.33 -48.3 5.94 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.519 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 45.3 mt-10 -129.49 77.94 76.43 Favored Pre-proline 0 N--CA 1.501 2.109 0 O-C-N 121.87 -0.519 . . . . 0.0 110.166 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.08 -25.58 65.94 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.341 1.361 . . . . 0.0 109.851 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.7 3.42 5.1 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.97 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -82.47 105.43 13.51 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.139 -0.976 . . . . 0.0 109.513 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.705 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -73.39 -42.59 61.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.94 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -56.46 -29.36 61.6 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.22 -27.72 42.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 109.019 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -74.96 -50.28 17.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.349 -0.845 . . . . 0.0 109.72 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.46 -37.99 73.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.133 -0.979 . . . . 0.0 109.296 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -62.75 -40.79 98.34 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.052 -1.03 . . . . 0.0 108.702 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.01 -34.47 70.06 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.276 -0.89 . . . . 0.0 109.087 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' LYS . 94.2 mtt180 -63.31 -49.25 74.73 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -0.873 . . . . 0.0 109.492 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.8 mt -58.01 -51.71 68.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.236 -0.915 . . . . 0.0 109.227 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -57.02 -53.01 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.342 -0.849 . . . . 0.0 110.004 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -70.45 -37.56 74.35 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.215 -0.928 . . . . 0.0 109.918 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 112' ' ' ARG . 50.1 tttm -68.77 -39.79 80.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.181 -0.949 . . . . 0.0 110.087 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.14 70.78 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.947 -1.095 . . . . 0.0 108.565 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 31.5 mtm -51.19 -40.8 59.48 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.223 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.66 -26.45 61.64 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.587 -1.321 . . . . 0.0 109.195 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' A' ' 122' ' ' GLY . 65.3 tttm -66.86 -61.04 2.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.323 -0.86 . . . . 0.0 109.427 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.26 3.91 0.81 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.231 -0.918 . . . . 0.0 109.358 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -113.2 -1.62 25.02 Favored Glycine 0 N--CA 1.498 2.788 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.3 mt 53.61 108.61 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.691 -0.887 . . . . 0.0 109.821 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 125' ' ' GLY . 0.5 OUTLIER -69.25 -161.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.343 -0.848 . . . . 0.0 109.028 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.464 ' H ' HG12 ' A' ' 124' ' ' VAL . . . -82.33 39.37 2.64 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' A' ' 126' ' ' MET . 1.6 mpt? 47.74 -120.73 1.23 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.177 -1.19 . . . . 0.0 109.091 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.85 132.28 42.38 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.096 -1.002 . . . . 0.0 108.671 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 129' ' ' VAL . 90.7 mt -123.2 159.41 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.522 -0.736 . . . . 0.0 109.426 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.47 ' N ' HG22 ' A' ' 128' ' ' ILE . 41.0 t -147.83 86.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.216 -0.928 . . . . 0.0 109.357 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 76.87 -21.95 2.44 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 167.66 -163.91 37.51 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 37.8 ttm -65.45 -42.84 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.227 -1.161 . . . . 0.0 109.433 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -162.03 -172.59 3.3 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.264 -0.897 . . . . 0.0 109.529 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.7 mt -76.3 -153.3 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.35 -0.844 . . . . 0.0 109.598 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -149.15 163.48 29.16 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 137' ' ' ALA . 9.1 t -69.3 63.68 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -1.124 . . . . 0.0 109.577 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . 52.25 98.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.494 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -165.48 75.88 0.15 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -71.9 -95.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.32 -1.106 . . . . 0.0 109.186 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -72.31 -92.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.201 -0.937 . . . . 0.0 109.435 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 63.91 12.19 47.42 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -92.95 25.59 3.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.241 -1.152 . . . . 0.0 109.227 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 9.0 tp -160.59 -23.36 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.913 . . . . 0.0 109.146 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -74.83 -171.5 27.84 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.859 ' H ' HD23 ' A' ' 145' ' ' LEU . 1.9 pt? -68.54 -158.51 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.249 -1.148 . . . . 0.0 109.762 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -147.08 -167.95 2.91 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.475 -0.765 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.438 ' N ' ' ND1' ' A' ' 147' ' ' HIS . 2.3 m80 -50.35 129.27 21.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.892 . . . . 0.0 109.496 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -74.2 111.32 9.26 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 109.49 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -68.06 79.85 0.22 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.257 -0.902 . . . . 0.0 109.429 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -169.29 117.63 0.64 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.913 . . . . 0.0 109.437 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 1.3 m80 -64.86 -150.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.46 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 96.8 m-70 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.393 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' C ' ' H ' ' A' ' 3' ' ' ALA . 16.4 ptt? . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 11.2 mp0 -74.55 20.38 0.12 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.264 -0.898 . . . . 0.0 109.4 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 1' ' ' MET . . . 53.8 -175.49 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.442 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.1 t 50.24 91.07 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.303 -0.873 . . . . 0.0 109.477 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.1 mp -70.05 77.16 0.5 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.263 -0.898 . . . . 0.0 109.352 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.475 ' CG ' ' H ' ' A' ' 7' ' ' GLU . 65.9 t30 -165.64 -172.95 2.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.335 -0.853 . . . . 0.0 109.618 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' H ' ' CG ' ' A' ' 6' ' ' ASN . 2.7 tp10 62.11 137.42 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.385 -0.822 . . . . 0.0 109.63 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.53 -55.76 5.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.237 -0.914 . . . . 0.0 109.374 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.7 t -147.72 139.17 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.607 -0.683 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.9 t -79.02 140.6 37.92 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.237 -0.914 . . . . 0.0 108.907 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -55.14 -23.58 13.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -69.83 -45.84 66.95 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' HA ' ' HZ3' ' A' ' 16' ' ' LYS . 6.2 m-20 -65.94 -49.31 68.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.4 -0.813 . . . . 0.0 110.418 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -46.21 90.49 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.966 -1.084 . . . . 0.0 109.954 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.12 -33.92 59.44 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.79 -1.194 . . . . 0.0 109.486 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -55.74 -44.44 77.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.863 -1.148 . . . . 0.0 108.257 179.159 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.482 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.1 m-85 -71.86 -28.97 63.89 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -71.49 -36.93 71.28 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -55.9 -43.29 77.13 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.0 -48.76 64.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.245 -0.91 . . . . 0.0 108.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -54.58 -42.53 71.17 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.313 -0.867 . . . . 0.0 108.886 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -71.35 -50.4 32.62 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.486 -0.759 . . . . 0.0 109.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.4 m -61.11 -40.77 95.02 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.797 -1.189 . . . . 0.0 109.011 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -57.54 -46.75 83.51 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.443 -0.786 . . . . 0.0 109.477 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -57.16 -41.24 78.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.004 -1.06 . . . . 0.0 108.78 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.6 -43.36 72.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.93 -17.62 18.03 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.69 13.92 57.46 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 108.931 -1.667 . . . . 0.0 108.931 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 m -157.79 154.78 28.68 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.431 -1.04 . . . . 0.0 109.638 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.88 128.47 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.458 -0.776 . . . . 0.0 109.581 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.71 146.91 30.83 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 0.0 109.177 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -58.86 -25.77 63.59 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.509 -0.744 . . . . 0.0 109.525 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -49.79 75.08 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.353 -0.842 . . . . 0.0 110.319 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.2 m -65.47 -43.92 88.79 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.989 -1.069 . . . . 0.0 109.677 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.658 ' HB3' HD11 ' A' ' 61' ' ' LEU . 41.5 mt-30 -52.16 -43.31 64.04 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 109.849 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 49.4 m-85 -71.09 -49.18 47.24 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.974 -1.079 . . . . 0.0 109.763 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 61.4 mt-10 -58.71 -30.47 67.46 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.383 -0.823 . . . . 0.0 110.677 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.532 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.7 t80 -88.31 -27.35 21.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.134 -0.978 . . . . 0.0 110.391 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.43 15.24 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.785 -1.197 . . . . 0.0 109.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 6.9 p-90 -59.53 -37.28 77.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.698 -1.252 . . . . 0.0 108.548 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 55.1 m -55.59 -34.27 64.67 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.786 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 14.1 mt -79.46 -58.62 3.11 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.046 -1.034 . . . . 0.0 111.919 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 m -54.84 -17.52 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.861 -1.149 . . . . 0.0 110.187 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -94.58 21.18 7.55 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 109.264 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -101.49 -162.82 0.96 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.211 -0.931 . . . . 0.0 109.503 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -121.47 0.64 10.01 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -95.22 116.44 28.75 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.302 -0.873 . . . . 0.0 109.125 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.4 -49.03 62.37 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.343 -0.848 . . . . 0.0 110.133 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -51.53 -31.77 25.41 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.974 -1.079 . . . . 0.0 110.338 -179.003 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.53 -30.59 63.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.969 -1.082 . . . . 0.0 109.463 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.12 -45.46 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 120.945 -1.097 . . . . 0.0 108.903 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -54.27 -54.13 44.29 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -68.15 -34.76 76.94 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.509 -0.744 . . . . 0.0 109.054 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.65 -38.36 95.57 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.75 -39.76 84.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 120.988 -1.301 . . . . 0.0 108.835 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.55 -45.64 96.81 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.33 -45.85 46.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.772 -0.58 . . . . 0.0 109.975 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.1 mt -74.72 -41.37 60.29 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.721 -1.237 . . . . 0.0 110.026 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -52.0 -41.86 62.53 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 110.211 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -73.03 -30.08 63.47 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.134 -0.978 . . . . 0.0 109.789 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 35' ' ' GLN . 83.0 mt -75.0 -30.52 61.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.272 -0.892 . . . . 0.0 110.939 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -53.02 -56.38 24.27 Favored Pre-proline 0 N--CA 1.486 1.338 0 O-C-N 120.793 -1.192 . . . . 0.0 111.202 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.5 Cg_endo -58.92 -31.27 95.18 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 120.651 0.901 . . . . 0.0 110.203 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -76.17 -20.67 57.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.109 -0.994 . . . . 0.0 110.193 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.05 156.27 21.3 Favored Glycine 0 N--CA 1.496 2.695 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.9 p -64.8 -166.94 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.17 -1.194 . . . . 0.0 109.171 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -74.54 -35.92 63.13 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.979 -1.075 . . . . 0.0 109.065 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 71' ' ' ARG . 13.6 tp10 -71.33 -47.39 56.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.128 -0.983 . . . . 0.0 108.887 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 52.0 mt-10 -56.12 -28.25 57.11 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.39 -0.819 . . . . 0.0 109.173 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -72.03 -45.75 59.67 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.277 -0.889 . . . . 0.0 109.456 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.54 ' NH1' ' CG ' ' A' ' 101' ' ' GLU . 33.1 mtm180 -51.26 -33.49 28.53 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.107 -0.995 . . . . 0.0 109.767 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -73.54 -51.54 16.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.925 -1.109 . . . . 0.0 109.237 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.8 m-85 -62.6 -29.52 70.66 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.202 -0.936 . . . . 0.0 109.051 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.65 -42.86 82.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -58.85 -45.02 91.1 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.85 -0.531 . . . . 0.0 110.217 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -65.83 -39.76 91.15 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.735 -1.228 . . . . 0.0 109.799 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.28 -45.13 94.41 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.046 -1.034 . . . . 0.0 109.497 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -32.53 63.1 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.111 -0.993 . . . . 0.0 109.043 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.2 -42.33 44.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.38 -0.825 . . . . 0.0 109.764 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.04 -41.52 95.11 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -68.78 -29.54 67.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.088 -1.242 . . . . 0.0 109.475 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.34 -30.04 70.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.217 -0.927 . . . . 0.0 108.917 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 85' ' ' LYS . 21.5 mmt180 -70.64 -45.33 65.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.28 -0.887 . . . . 0.0 109.775 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 86' ' ' GLU . 80.4 mt -70.91 29.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.049 -1.032 . . . . 0.0 110.051 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 83' ' ' ARG . 35.3 mttp 55.52 2.59 0.06 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 110.094 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 84' ' ' LEU . 55.7 mt-10 -74.16 92.34 2.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.947 -1.096 . . . . 0.0 108.97 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -83.74 -31.62 25.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.363 -0.836 . . . . 0.0 109.914 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -72.54 -48.73 37.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.747 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -66.99 -40.67 87.44 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.182 -0.949 . . . . 0.0 109.919 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.05 74.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.953 -1.092 . . . . 0.0 109.438 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 114' ' ' ILE . 3.8 mp -76.01 -18.35 59.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.234 -0.916 . . . . 0.0 109.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -72.17 -36.8 69.39 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.453 -1.405 . . . . 0.0 107.579 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -77.93 -43.68 29.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.8 -0.562 . . . . 0.0 110.267 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.23 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.239 -0.913 . . . . 0.0 110.844 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 20.9 mmm180 -70.05 -45.66 66.65 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.25 -1.531 . . . . 0.0 109.241 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.87 -28.88 73.38 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.069 -1.613 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 100' ' ' THR . 20.0 tp -59.67 -39.4 84.35 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.496 -1.002 . . . . 0.0 108.964 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 107' ' ' ALA . 62.3 mt -75.7 -38.47 58.59 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.912 -1.117 . . . . 0.0 109.612 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -52.28 -24.2 7.02 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 17.3 p -96.99 -43.51 7.41 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' CG ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -131.4 76.75 75.09 Favored Pre-proline 0 N--CA 1.501 2.096 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -9.85 26.58 Favored 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.47 1.447 . . . . 0.0 109.571 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -87.92 -6.5 58.02 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.295 -0.878 . . . . 0.0 109.917 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -74.87 97.94 3.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.013 -1.054 . . . . 0.0 109.742 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.42 -41.39 84.9 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.254 -0.904 . . . . 0.0 109.672 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -56.8 -28.09 60.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.94 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -30.24 48.05 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.109 -0.994 . . . . 0.0 109.086 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.12 -51.22 18.79 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.302 -0.873 . . . . 0.0 109.726 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.0 -32.43 67.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.143 -0.973 . . . . 0.0 109.086 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.5 tp -61.36 -42.86 99.38 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 108.697 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -62.98 -36.22 82.81 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.821 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -55.53 -45.63 77.15 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 121.438 -0.789 . . . . 0.0 109.637 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.6 mt -57.49 -42.93 83.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.549 HG21 HD13 ' A' ' 91' ' ' LEU . 74.2 mt -71.59 -49.78 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.86 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -54.57 -49.37 70.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.191 -0.943 . . . . 0.0 110.072 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -56.91 -48.38 78.37 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.101 -0.999 . . . . 0.0 110.258 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.12 77.33 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.056 -1.028 . . . . 0.0 108.484 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 23.5 mtp -47.78 -47.47 30.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.641 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -57.09 -50.37 72.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.53 -1.356 . . . . 0.0 109.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 122' ' ' GLY . 44.8 mtpt -71.51 -53.57 13.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.545 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -68.88 8.14 0.57 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.323 -0.861 . . . . 0.0 109.675 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -84.83 67.56 3.66 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 123' ' ' LEU . 3.8 mm? -61.95 159.44 14.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.26 -1.141 . . . . 0.0 109.617 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' MET . 24.3 t -148.24 148.15 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -56.77 83.7 0.01 OUTLIER Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 124' ' ' VAL . 14.3 ptp -57.17 -37.91 72.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -1.13 . . . . 0.0 109.388 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.78 132.51 30.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.326 -0.858 . . . . 0.0 109.367 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 12.1 mt -109.68 152.64 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.573 -0.705 . . . . 0.0 109.101 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 20.1 t -146.29 -8.8 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.156 -0.965 . . . . 0.0 109.34 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.24 81.58 0.15 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.26 3.36 53.33 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.496 ' O ' ' SD ' ' A' ' 132' ' ' MET . 0.0 OUTLIER 59.3 74.28 0.45 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -1.128 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 135' ' ' GLY . . . -171.41 27.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.171 0.986 . . . . 0.0 109.305 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -70.9 36.35 0.05 OUTLIER 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.584 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 133' ' ' ALA . . . -82.87 6.23 71.51 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 m -67.08 -13.04 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -1.144 . . . . 0.0 109.53 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.57 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.459 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 63.92 67.56 2.01 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 13.9 mt -74.21 -1.64 21.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -1.177 . . . . 0.0 109.35 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.409 ' HB1' HD23 ' A' ' 142' ' ' LEU . . . -67.25 166.35 14.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.501 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -97.48 41.72 2.26 Favored Glycine 0 N--CA 1.497 2.759 0 N-CA-C 110.029 -1.229 . . . . 0.0 110.029 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.409 HD23 ' HB1' ' A' ' 140' ' ' ALA . 3.7 mm? -83.47 -46.38 12.54 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.1 -1.235 . . . . 0.0 108.967 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 144' ' ' GLY . 17.0 tt -62.43 -41.28 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 143' ' ' ILE . . . -86.57 173.76 45.98 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.49 -150.24 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.26 -1.141 . . . . 0.0 109.277 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -116.94 -37.19 3.64 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.504 -0.747 . . . . 0.0 109.378 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -78.88 179.89 6.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.359 -0.838 . . . . 0.0 109.509 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.679 ' CD2' ' H ' ' A' ' 149' ' ' HIS . 8.6 t-160 -164.45 -156.75 0.34 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.231 -0.918 . . . . 0.0 109.36 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.679 ' H ' ' CD2' ' A' ' 148' ' ' HIS . 0.1 OUTLIER -173.67 60.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.252 -0.905 . . . . 0.0 109.306 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -58.64 -67.36 0.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.393 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 51.17 -125.38 2.32 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 109.454 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.511 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 mmt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.305 0.574 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.88 -2.76 0.23 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.211 -0.931 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -168.67 104.32 0.42 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.226 -0.921 . . . . 0.0 109.419 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 t -67.34 67.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.256 -0.902 . . . . 0.0 109.527 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 3' ' ' ALA . 13.8 mt 52.47 -154.46 0.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.477 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -155.46 141.32 18.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.271 -0.893 . . . . 0.0 109.455 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -58.26 110.84 1.03 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.442 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.98 -80.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.31 118.41 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.303 -0.873 . . . . 0.0 109.441 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.427 ' OG ' ' OD1' ' A' ' 13' ' ' ASP . 88.1 p -64.91 134.02 53.09 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.222 -0.924 . . . . 0.0 108.883 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -47.66 -25.36 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.137 -0.977 . . . . 0.0 109.026 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 38.0 mm-40 -70.71 -47.76 58.09 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.09 -1.007 . . . . 0.0 109.012 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 13' ' ' ASP . 1.8 m-20 -67.96 -33.74 75.24 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.202 -0.936 . . . . 0.0 109.546 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.628 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.1 tm? -72.44 -49.47 33.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.138 -0.976 . . . . 0.0 109.328 -179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LYS . 89.8 mt -76.62 -28.52 56.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.891 -1.131 . . . . 0.0 110.233 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -58.72 -46.36 87.51 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.835 -1.166 . . . . 0.0 109.365 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -73.06 -28.96 62.62 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.759 -1.213 . . . . 0.0 108.614 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -76.42 -31.27 57.81 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . 17.9 tptm -55.63 -47.82 75.96 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' OG1' ' A' ' 34' ' ' THR . 3.7 mtmp? -60.6 -43.63 97.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.019 -1.05 . . . . 0.0 108.859 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -52.95 -34.56 56.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.321 -0.862 . . . . 0.0 109.507 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -73.79 -53.41 10.33 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -57.59 -49.77 75.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.787 -1.196 . . . . 0.0 109.892 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 81.6 mt-10 -57.8 -51.73 68.37 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.156 -0.965 . . . . 0.0 108.73 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -57.47 -40.86 79.47 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.2 -0.938 . . . . 0.0 109.055 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.31 -39.94 70.52 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.76 -15.37 28.77 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.65 10.68 49.59 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.1 t -150.41 158.9 44.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.442 -1.034 . . . . 0.0 109.264 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.7 t -139.69 126.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -81.41 140.44 34.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.965 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -56.32 -27.29 55.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.513 -0.742 . . . . 0.0 109.257 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 88.7 p -54.3 -43.29 70.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.264 -0.897 . . . . 0.0 109.701 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.527 ' OG1' ' NZ ' ' A' ' 20' ' ' LYS . 52.7 m -82.61 -48.2 11.23 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.171 -0.956 . . . . 0.0 109.808 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -53.1 -46.31 68.61 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.152 -0.967 . . . . 0.0 109.328 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t80 -71.06 -48.68 51.32 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.514 -0.741 . . . . 0.0 110.071 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -71.38 -14.6 62.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 109.476 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -77.05 -35.99 56.38 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.273 -0.892 . . . . 0.0 108.865 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.16 -39.74 71.73 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.185 -0.947 . . . . 0.0 109.098 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.14 -48.32 68.02 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.68 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.49 -41.71 69.88 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 119.872 -0.731 . . . . 0.0 109.712 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.476 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.6 mt -78.59 -39.7 36.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.107 -0.996 . . . . 0.0 110.948 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 39' ' ' ALA . 87.2 t -52.72 -23.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 120.878 -1.139 . . . . 0.0 109.536 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.3 OUTLIER -101.88 22.69 12.57 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.2 t -82.92 165.49 19.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.036 -1.04 . . . . 0.0 109.635 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -90.38 1.16 56.86 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.253 -0.904 . . . . 0.0 109.441 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -108.93 145.18 35.84 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.436 -0.79 . . . . 0.0 109.403 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -70.71 -48.24 55.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.911 . . . . 0.0 110.223 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 36.4 p-10 -52.05 -34.76 44.85 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.99 -1.069 . . . . 0.0 110.56 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 6.0 m-20 -68.0 -32.71 73.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.87 -1.144 . . . . 0.0 109.14 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.8 mt -78.48 -45.04 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 120.83 -1.169 . . . . 0.0 108.562 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -53.99 -54.33 40.61 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.0 tttt -55.32 -47.9 74.96 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.12 -36.69 91.27 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -71.02 -40.01 75.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.326 0 O-C-N 121.124 -1.221 . . . . 0.0 108.87 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.26 -47.95 85.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.9 mt -49.06 -50.4 36.76 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.76 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD2' ' CE1' ' A' ' 36' ' ' PHE . 15.0 mt -69.17 -42.71 75.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.873 -1.142 . . . . 0.0 110.111 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -51.72 -37.29 50.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.903 -1.123 . . . . 0.0 109.785 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -74.4 -29.23 61.44 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.088 -1.007 . . . . 0.0 109.734 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.93 -30.79 58.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.263 -0.898 . . . . 0.0 110.819 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -53.57 -55.71 32.26 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 120.758 -1.214 . . . . 0.0 111.1 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -51.73 -28.36 29.82 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 N-CA-C 109.606 -0.959 . . . . 0.0 109.606 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.1 7.14 47.18 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.325 -0.859 . . . . 0.0 108.962 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -100.78 149.41 18.51 Favored Glycine 0 N--CA 1.496 2.649 0 N-CA-C 109.379 -1.488 . . . . 0.0 109.379 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 t -64.52 -175.94 0.21 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.273 . . . . 0.0 108.661 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -76.08 -46.89 26.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.689 -1.257 . . . . 0.0 109.294 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.32 -44.48 68.17 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -57.94 -32.56 67.93 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.476 -0.765 . . . . 0.0 109.004 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -69.52 -38.98 77.8 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.126 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' CZ ' ' OE2' ' A' ' 101' ' ' GLU . 39.4 mtm180 -52.55 -39.62 61.66 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.027 . . . . 0.0 109.254 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.07 -45.18 58.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.049 -1.032 . . . . 0.0 108.491 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 73' ' ' TYR . 7.3 m-30 -57.25 -40.42 77.59 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.3 t -57.23 -35.33 48.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.677 -0.639 . . . . 0.0 110.82 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -68.72 -39.32 80.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.522 -1.361 . . . . 0.0 110.197 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.62 -44.65 96.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.104 -0.997 . . . . 0.0 109.764 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -33.45 70.14 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.044 -1.035 . . . . 0.0 109.269 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.76 -39.46 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.241 -0.912 . . . . 0.0 109.832 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.12 -42.31 84.54 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -65.7 -27.33 68.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -1.127 . . . . 0.0 109.548 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -74.23 -29.38 61.69 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.882 . . . . 0.0 108.904 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -67.66 -46.45 72.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.335 -0.853 . . . . 0.0 109.554 179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 51.8 mt -69.21 20.69 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.232 -0.918 . . . . 0.0 110.144 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER 65.53 -8.31 0.29 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 109.556 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -67.45 97.66 0.59 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.053 -1.029 . . . . 0.0 109.192 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -84.36 -36.45 22.49 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.34 -0.85 . . . . 0.0 109.768 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 23.0 mp0 -64.87 -50.12 67.85 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.175 -0.953 . . . . 0.0 109.839 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.209 -0.932 . . . . 0.0 110.024 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.68 71.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.103 -0.998 . . . . 0.0 109.801 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -55.87 -18.57 9.15 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.206 -0.934 . . . . 0.0 108.953 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -74.48 -41.72 60.26 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.975 -1.078 . . . . 0.0 108.382 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -75.88 -35.26 59.92 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.547 -0.72 . . . . 0.0 110.193 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -81.09 -33.18 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.109 -0.994 . . . . 0.0 110.337 -178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.69 -46.59 62.87 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.401 -1.437 . . . . 0.0 109.086 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.01 -28.95 74.08 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.928 -1.669 . . . . 0.0 108.928 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.49 ' O ' ' OG1' ' A' ' 100' ' ' THR . 22.2 tp -60.65 -36.97 80.01 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.541 -0.976 . . . . 0.0 108.833 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 107' ' ' ALA . 74.3 mt -75.83 -34.64 60.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.802 -1.186 . . . . 0.0 109.132 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -53.85 -24.93 17.41 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 41.5 p -94.48 -48.22 6.21 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.473 ' OE2' ' CZ ' ' A' ' 71' ' ' ARG . 48.0 mt-10 -128.44 77.33 77.34 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.792 -0.568 . . . . 0.0 110.056 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -65.94 -24.54 53.09 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.287 1.325 . . . . 0.0 109.604 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -77.45 0.4 22.82 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.252 -0.905 . . . . 0.0 109.62 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 6.7 t-20 -80.84 107.16 13.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -75.23 -38.33 60.69 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.824 . . . . 0.0 109.896 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.595 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 3.1 mp0 -56.46 -29.61 61.91 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.107 -0.996 . . . . 0.0 109.478 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.506 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.58 -28.37 45.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.085 -1.01 . . . . 0.0 109.107 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.43 -50.85 16.8 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.79 -31.93 67.04 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.127 -0.983 . . . . 0.0 109.13 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.61 -42.65 98.2 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.167 -0.958 . . . . 0.0 108.931 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.39 -28.67 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.586 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -67.04 -42.53 84.69 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.175 -0.953 . . . . 0.0 109.881 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.4 mt -57.23 -46.88 82.56 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.0 mt -67.99 -52.62 37.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 O-C-N 121.608 -0.683 . . . . 0.0 109.688 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.79 -44.54 82.0 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.33 -0.856 . . . . 0.0 109.853 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.3 -52.55 64.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.116 -0.99 . . . . 0.0 109.752 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.04 78.29 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 22.3 ttm -49.46 -46.89 48.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.544 -0.722 . . . . 0.0 110.697 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -23.06 67.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.539 -1.35 . . . . 0.0 109.204 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 122' ' ' GLY . 18.0 tptm -55.38 -58.3 8.29 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.114 -0.991 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -75.21 21.8 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.453 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -151.06 54.12 0.48 Allowed Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.26 111.64 1.02 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -1.08 . . . . 0.0 109.806 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 125' ' ' GLY . 0.9 OUTLIER -95.76 -158.18 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.513 ' H ' HG12 ' A' ' 124' ' ' VAL . . . -46.06 124.38 7.37 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.552 ' N ' ' SD ' ' A' ' 126' ' ' MET . 0.4 OUTLIER -56.28 -104.02 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -1.132 . . . . 0.0 109.213 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.4 132.73 41.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.21 -0.932 . . . . 0.0 109.128 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 129' ' ' VAL . 18.8 mm -137.93 159.89 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.416 ' N ' HG22 ' A' ' 128' ' ' ILE . 9.9 t -146.43 60.65 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.248 -0.907 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.78 -72.77 0.21 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 58.11 53.41 45.83 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -170.92 -38.79 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -1.16 . . . . 0.0 109.264 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -67.89 159.33 30.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.242 -0.911 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.8 mt -69.07 163.41 24.8 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.187 -0.945 . . . . 0.0 109.471 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -73.18 -61.88 3.3 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.2 t -66.5 68.08 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.209 -1.171 . . . . 0.0 109.492 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -77.07 51.35 0.81 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.187 -0.945 . . . . 0.0 109.497 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -71.97 54.56 1.39 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.7 -49.84 28.66 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -1.144 . . . . 0.0 109.408 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.59 173.84 0.89 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.889 . . . . 0.0 109.518 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 170.51 103.47 0.17 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 143' ' ' ILE . 0.3 OUTLIER -164.97 4.08 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.252 -1.146 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 142' ' ' LEU . 15.1 tt -87.55 -42.84 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.242 -0.911 . . . . 0.0 109.475 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.516 ' N ' HG23 ' A' ' 143' ' ' ILE . . . 150.55 -50.21 0.54 Allowed Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 145' ' ' LEU . 2.9 mm? -63.46 -111.57 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.305 -1.115 . . . . 0.0 109.23 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 148' ' ' HIS . 1.2 tm-20 65.85 140.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.555 -0.716 . . . . 0.0 109.385 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.515 ' N ' ' OE2' ' A' ' 146' ' ' GLU . 32.8 m-70 -147.06 49.48 1.12 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.539 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 4.2 t60 -77.61 -48.6 16.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.304 -0.873 . . . . 0.0 109.293 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.619 ' CE1' ' CE1' ' A' ' 150' ' ' HIS . 9.6 t-160 51.02 -119.62 1.45 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.339 -0.85 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.619 ' CE1' ' CE1' ' A' ' 149' ' ' HIS . 0.1 OUTLIER -153.02 65.02 0.78 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.51 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 34.9 t60 -166.0 -73.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.41 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 65.7 m-70 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.467 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -169.08 80.76 0.13 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.21 136.09 54.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.901 . . . . 0.0 109.368 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -169.36 151.56 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.308 -0.87 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.4 mp -78.22 -175.16 4.02 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.288 -0.882 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -88.32 -165.12 1.24 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.221 -0.924 . . . . 0.0 109.421 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.99 147.63 25.66 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.334 -0.854 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -62.57 -113.11 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.12 -0.988 . . . . 0.0 109.066 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 14' ' ' LEU . 23.3 t -109.32 125.61 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.451 -0.781 . . . . 0.0 109.363 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 91.8 p -59.55 139.54 57.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.213 -0.929 . . . . 0.0 108.916 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.55 -28.05 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.154 -0.966 . . . . 0.0 108.982 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 59.6 mt-10 -65.93 -45.72 80.81 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.049 -1.032 . . . . 0.0 109.464 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.61 -45.34 87.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.338 -0.852 . . . . 0.0 110.581 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' HG ' HG11 ' A' ' 9' ' ' VAL . 4.3 mt -65.03 -44.72 88.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.742 -1.224 . . . . 0.0 109.808 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.6 mt -78.46 -33.58 48.28 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.741 -1.224 . . . . 0.0 110.008 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 29.8 ttpt -56.14 -52.31 64.81 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.025 -1.047 . . . . 0.0 109.535 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -74.66 -26.96 60.21 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.167 -0.958 . . . . 0.0 109.507 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -70.24 -36.69 74.67 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' NZ ' ' OG ' ' A' ' 23' ' ' SER . 3.8 tptp -54.36 -47.94 72.02 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -57.74 -49.58 76.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.204 -0.935 . . . . 0.0 109.041 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -53.98 -33.75 57.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.4 -0.812 . . . . 0.0 109.093 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -74.27 -52.8 11.23 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.299 -0.876 . . . . 0.0 109.937 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.459 ' OG ' ' NZ ' ' A' ' 19' ' ' LYS . 10.2 m -62.58 -50.91 69.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.587 -1.32 . . . . 0.0 110.421 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' SER . 63.6 mt-10 -58.37 -38.95 78.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.044 -1.035 . . . . 0.0 108.968 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -69.83 -40.53 75.79 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.16 -40.72 70.97 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.1 -14.86 27.28 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.27 14.92 55.17 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' GLU . 54.9 m -153.7 123.54 6.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.266 -1.138 . . . . 0.0 109.727 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.1 t -108.87 123.8 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.503 -0.748 . . . . 0.0 109.738 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -72.58 140.07 47.84 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.45 -0.781 . . . . 0.0 109.363 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -56.9 -28.64 62.19 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.304 -0.872 . . . . 0.0 109.188 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' OE1' ' A' ' 37' ' ' GLU . 97.8 p -54.95 -48.49 73.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.865 . . . . 0.0 109.48 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.407 ' OG1' ' OE1' ' A' ' 24' ' ' GLU . 6.0 m -63.8 -46.64 84.25 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.165 -0.96 . . . . 0.0 109.189 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.02 -39.3 66.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.295 -0.878 . . . . 0.0 109.823 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 20.6 m-85 -66.65 -52.38 45.63 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.179 -0.95 . . . . 0.0 110.718 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 33' ' ' SER . 1.5 mp0 -72.42 -14.74 61.77 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.024 -1.047 . . . . 0.0 110.115 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 42' ' ' LEU . 50.3 t80 -77.58 -34.61 53.58 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 120.977 -1.077 . . . . 0.0 108.977 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.89 -36.17 67.27 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.278 -0.889 . . . . 0.0 109.117 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.687 ' HE1' ' NH2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -56.44 -53.02 62.3 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.997 -1.064 . . . . 0.0 108.396 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.8 m -53.86 -40.9 66.93 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.631 -0.668 . . . . 0.0 110.196 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 38' ' ' TYR . 18.7 mt -76.55 -38.43 55.02 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.866 -1.146 . . . . 0.0 109.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 39' ' ' ALA . 71.3 t -53.0 -19.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.116 -0.99 . . . . 0.0 108.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.687 ' NH2' ' HE1' ' A' ' 40' ' ' TRP . 50.1 mtm180 -119.09 16.67 13.28 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 122.025 -0.422 . . . . 0.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 47' ' ' TYR . 2.3 m -73.59 16.03 0.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.761 -1.212 . . . . 0.0 110.728 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 78.8 tttt 60.58 -35.65 0.08 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.249 -0.907 . . . . 0.0 111.392 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 45' ' ' SER . 69.8 m-85 -79.08 142.31 36.59 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.618 -1.301 . . . . 0.0 109.42 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 49' ' ' ASP . 2.7 p-10 -70.71 -47.0 62.04 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.289 -0.882 . . . . 0.0 110.188 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' N ' ' ND2' ' A' ' 48' ' ' ASN . 36.2 t70 -52.34 -39.47 60.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 110.747 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -73.59 -31.2 63.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.82 -1.175 . . . . 0.0 109.376 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.4 mt -77.48 -43.51 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 120.935 -1.103 . . . . 0.0 108.75 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -51.77 -44.12 63.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -64.39 -38.86 92.5 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.82 -39.81 69.4 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.4 mm -58.37 -54.85 27.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 O-C-N 120.984 -1.303 . . . . 0.0 108.424 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' H ' HG23 ' A' ' 56' ' ' VAL . 27.9 t -53.24 -51.05 43.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.5 mt -48.88 -47.65 42.88 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.402 -0.811 . . . . 0.0 109.816 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.6 mt -76.25 -43.69 40.77 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.694 -1.254 . . . . 0.0 110.29 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -52.53 -41.65 63.66 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.772 -1.205 . . . . 0.0 110.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -70.31 -31.59 68.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.198 -0.939 . . . . 0.0 109.695 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 36' ' ' PHE . 80.9 mt -76.02 -30.83 58.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.233 -0.917 . . . . 0.0 111.247 -179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.8 mp -51.75 -55.06 33.34 Favored Pre-proline 0 N--CA 1.488 1.43 0 O-C-N 120.728 -1.233 . . . . 0.0 111.374 -178.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.2 Cg_exo -54.08 -25.26 36.29 Favored 'Trans proline' 0 C--N 1.321 -0.877 0 CA-C-N 119.396 0.82 . . . . 0.0 110.12 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -103.57 49.48 0.82 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.302 -0.874 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -151.91 157.92 27.5 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.7 p -76.06 -170.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.105 -1.232 . . . . 0.0 109.319 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -73.3 -38.3 65.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.024 -1.048 . . . . 0.0 109.575 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -72.97 -42.24 63.53 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -56.64 -39.26 73.37 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 74' ' ' VAL . 80.6 mt-30 -64.52 -45.45 87.16 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.336 -0.852 . . . . 0.0 109.511 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -50.05 -31.72 13.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.008 -1.058 . . . . 0.0 109.378 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -76.5 -41.19 47.85 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.903 -1.123 . . . . 0.0 109.234 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.9 m-85 -73.54 -39.49 64.7 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.28 -0.888 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 70' ' ' GLN . 74.8 t -57.77 -33.39 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -65.94 -48.56 70.97 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.479 -0.763 . . . . 0.0 110.6 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.35 -39.94 89.5 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.835 -1.165 . . . . 0.0 110.179 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.7 mt -61.16 -24.47 66.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.06 -1.025 . . . . 0.0 109.365 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.78 -34.56 60.23 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.142 -0.973 . . . . 0.0 109.12 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.59 -35.86 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.686 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.93 -44.34 94.7 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -67.99 -29.19 68.15 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.178 -1.189 . . . . 0.0 109.754 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -62.65 -38.75 91.52 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.207 -0.933 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 85' ' ' LYS . 70.5 mtt180 -75.25 -43.59 50.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.996 -1.065 . . . . 0.0 110.049 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 86' ' ' GLU . 73.5 mt -64.13 29.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.904 -1.122 . . . . 0.0 110.621 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 83' ' ' ARG . 19.2 mtpp 63.2 -34.11 0.13 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.131 -0.981 . . . . 0.0 110.553 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.06 100.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.649 -1.282 . . . . 0.0 108.825 179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.401 ' N ' ' O ' ' A' ' 85' ' ' LYS . 58.5 m-85 -84.59 -38.67 19.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.386 -0.821 . . . . 0.0 110.307 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.86 -47.46 68.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.077 -1.015 . . . . 0.0 110.888 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -55.44 -52.53 63.28 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.834 -1.166 . . . . 0.0 109.788 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.26 -28.77 55.67 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.897 -1.127 . . . . 0.0 108.671 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 114' ' ' ILE . 6.3 tp -75.82 -19.4 58.96 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.7 -46.88 18.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.202 -0.936 . . . . 0.0 109.513 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -65.65 -48.94 70.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.335 -0.853 . . . . 0.0 110.197 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 p -59.01 -39.86 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.203 -0.935 . . . . 0.0 109.785 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -57.14 -34.73 68.7 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.708 -1.245 . . . . 0.0 108.065 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.75 -39.87 95.88 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 2.7 mm? -57.32 -39.07 75.07 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.225 -1.162 . . . . 0.0 108.969 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ALA . 10.4 mt -76.36 -50.01 15.37 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.142 -179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -54.49 -16.55 2.41 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.791 -1.193 . . . . 0.0 107.786 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.5 p -103.46 -48.7 3.9 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 121.625 0.726 . . . . 0.0 109.207 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' LEU . 69.0 mm-40 -138.35 83.24 21.76 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.834 -0.541 . . . . 0.0 109.941 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.479 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 5.1 Cg_exo -61.26 -15.58 41.08 Favored 'Trans proline' 0 C--N 1.319 -1.008 0 C-N-CA 121.053 1.169 . . . . 0.0 109.432 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -82.09 -2.73 52.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.431 -0.793 . . . . 0.0 109.817 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -82.52 106.26 14.24 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.092 -1.005 . . . . 0.0 109.614 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -74.6 -31.51 62.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.0 109.904 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.86 -32.6 65.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.168 -0.957 . . . . 0.0 109.656 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.92 -27.77 43.77 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.033 -1.042 . . . . 0.0 108.903 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 88.3 mttt -75.3 -50.6 15.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.341 -0.849 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.61 -34.64 69.49 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.129 -0.982 . . . . 0.0 109.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.37 -44.48 91.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.917 . . . . 0.0 108.719 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.532 ' HG3' HD11 ' A' ' 91' ' ' LEU . 27.6 tt0 -57.17 -33.64 67.66 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.131 -0.981 . . . . 0.0 108.465 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -62.23 -50.78 70.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.48 -0.762 . . . . 0.0 109.591 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.45 -46.8 83.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 91' ' ' LEU . 67.7 mt -63.14 -42.3 96.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.406 -0.809 . . . . 0.0 109.532 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -72.71 -45.06 60.71 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.251 -0.905 . . . . 0.0 109.318 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -56.92 -38.56 73.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.235 -0.916 . . . . 0.0 109.674 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.68 76.23 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.13 -0.981 . . . . 0.0 108.418 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 24.2 mtt -46.96 -48.32 21.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 109.918 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -65.91 -36.36 83.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.547 -1.346 . . . . 0.0 109.239 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 122' ' ' GLY . 19.4 ttpp -66.72 -56.88 8.54 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.282 -0.886 . . . . 0.0 109.377 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.93 54.94 0.09 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.199 -0.938 . . . . 0.0 109.457 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -149.25 52.31 0.53 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.148 -1.581 . . . . 0.0 109.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -49.08 111.22 0.45 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.349 -1.089 . . . . 0.0 109.606 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.529 HG22 ' N ' ' A' ' 125' ' ' GLY . 7.5 p -97.52 160.46 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.609 -0.682 . . . . 0.0 109.539 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.529 ' N ' HG22 ' A' ' 124' ' ' VAL . . . 116.12 -71.81 0.27 Allowed Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 126' ' ' MET . 1.5 mpt? -51.98 -97.01 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.261 -1.141 . . . . 0.0 109.046 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.68 131.76 35.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.186 -0.946 . . . . 0.0 108.901 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.4 mt -124.99 144.08 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.59 -0.694 . . . . 0.0 109.355 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.6 t -149.89 -40.68 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.328 -0.858 . . . . 0.0 109.212 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -54.57 -11.86 2.99 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 75.41 175.51 37.29 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 39.2 mtt -70.93 136.77 48.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -1.148 . . . . 0.0 109.551 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -76.51 157.84 31.76 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 109.358 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.06 103.45 3.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.252 -0.905 . . . . 0.0 109.455 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -68.07 -140.43 0.08 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 67.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -1.15 . . . . 0.0 109.427 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -72.9 -90.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.241 -0.912 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -173.67 100.74 0.15 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 139' ' ' LEU . 8.5 mp -53.74 -65.68 0.52 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.286 -1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.51 -160.43 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.247 -0.908 . . . . 0.0 109.398 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 171.63 42.5 0.04 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.86 -75.82 0.13 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -1.183 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 17.2 pt -87.93 9.72 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.4 116.62 9.62 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.1 mt -79.0 -152.31 0.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.215 -1.168 . . . . 0.0 109.446 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 146' ' ' GLU . 1.6 mp0 -84.38 74.71 10.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.26 -0.9 . . . . 0.0 109.415 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -162.9 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.493 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.603 ' CG ' ' H ' ' A' ' 149' ' ' HIS . 0.3 OUTLIER -173.44 -102.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.231 -0.918 . . . . 0.0 109.499 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.603 ' H ' ' CG ' ' A' ' 148' ' ' HIS . 3.9 m-70 -51.26 -65.17 0.6 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.482 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 149' ' ' HIS . 57.8 m80 -157.95 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.413 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.3 -178.14 0.46 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.245 -0.909 . . . . 0.0 109.448 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.507 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 ptt? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 54.44 83.96 0.07 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.893 . . . . 0.0 109.468 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -174.37 132.43 0.38 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.526 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' ALA . 94.3 t 51.45 98.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.915 . . . . 0.0 109.598 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' H ' HD12 ' A' ' 5' ' ' LEU . 3.0 mp -54.31 -177.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.256 -0.903 . . . . 0.0 109.476 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -99.3 94.9 6.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.378 -0.826 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 9' ' ' VAL . 15.4 pt-20 -85.12 178.87 7.38 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -0.944 . . . . 0.0 109.348 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.6 mp -51.22 91.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.172 -0.955 . . . . 0.0 109.074 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' A' ' 7' ' ' GLU . 20.2 t 56.96 116.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.622 -0.674 . . . . 0.0 110.295 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -69.05 145.78 53.2 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -53.24 -28.46 14.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 121.074 -1.016 . . . . 0.0 108.672 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 14.5 mm-40 -66.61 -44.81 81.06 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.174 -0.954 . . . . 0.0 109.134 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.44 -46.52 79.58 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.43 -44.0 95.83 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.937 -1.102 . . . . 0.0 109.932 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.45 -37.53 51.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.929 -1.107 . . . . 0.0 109.451 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' NZ ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -54.97 -46.73 75.1 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.155 -0.966 . . . . 0.0 109.023 179.721 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 19.5 m-85 -74.85 -27.9 60.45 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.098 -1.001 . . . . 0.0 108.822 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.34 -37.14 74.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -54.07 -45.87 71.86 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -56.72 -48.01 78.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.018 -1.051 . . . . 0.0 108.435 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.59 -33.41 66.19 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.245 -0.909 . . . . 0.0 109.233 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -73.1 -52.39 14.43 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.412 -0.805 . . . . 0.0 109.692 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.7 m -64.65 -47.71 77.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.777 -1.202 . . . . 0.0 109.971 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 29' ' ' SER . 52.1 mm-40 -57.58 -40.41 78.93 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.121 -0.987 . . . . 0.0 108.891 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -71.22 -37.35 72.05 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.202 -0.936 . . . . 0.0 108.774 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.96 -41.55 71.26 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.18 -14.96 12.26 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.68 16.69 51.37 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 108.847 -1.701 . . . . 0.0 108.847 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.7 m -156.67 123.41 5.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.441 -1.035 . . . . 0.0 109.514 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.2 t -106.0 121.55 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.536 -0.727 . . . . 0.0 109.523 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -71.69 138.97 48.96 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.405 -0.809 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 9.4 mtmp? -57.14 -31.45 65.36 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.088 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.6 t -54.14 -49.13 69.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.314 -0.866 . . . . 0.0 109.485 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.1 m -64.88 -44.67 88.9 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 121.122 -0.986 . . . . 0.0 109.135 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -55.2 -37.31 66.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 109.517 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 21.9 m-85 -69.85 -51.32 34.48 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.226 -0.921 . . . . 0.0 110.583 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 67.0 mt-10 -72.02 -16.05 62.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.129 -0.982 . . . . 0.0 110.613 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 35.2 t80 -78.91 -34.42 44.66 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.057 -1.027 . . . . 0.0 109.108 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.886 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.29 69.92 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.194 -0.941 . . . . 0.0 108.996 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.494 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.9 -52.93 63.22 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.068 -1.02 . . . . 0.0 108.4 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 3.5 m -53.05 -38.9 62.85 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.137 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 19.3 mt -77.09 -39.78 48.41 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.915 -1.115 . . . . 0.0 110.35 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 39' ' ' ALA . 88.7 t -53.1 -21.42 3.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.306 0 O-C-N 121.101 -0.999 . . . . 0.0 109.925 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -117.14 31.02 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.741 -0.599 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 p -85.12 159.26 20.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.073 -1.017 . . . . 0.0 109.575 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 45.7 tttp -82.23 34.64 0.42 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.292 -0.88 . . . . 0.0 109.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 39.7 m-85 -150.64 141.75 23.09 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.15 -0.969 . . . . 0.0 109.273 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -71.38 -45.78 61.97 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.334 -0.854 . . . . 0.0 110.28 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 35.3 p-10 -50.73 -35.46 31.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.017 -1.052 . . . . 0.0 110.749 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 4.2 m-20 -74.25 -34.3 63.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.931 -1.105 . . . . 0.0 109.436 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -76.96 -52.92 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.823 -1.173 . . . . 0.0 109.581 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -52.61 -25.19 9.99 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.162 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -80.18 -41.92 24.38 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.66 -40.55 96.63 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.64 -42.98 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 O-C-N 120.815 -1.403 . . . . 0.0 108.08 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 52' ' ' ARG . 99.3 t -61.37 -47.88 91.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 121.117 -0.989 . . . . 0.0 108.552 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 57' ' ' LEU . 34.5 mt -48.5 -48.83 37.85 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.688 -0.632 . . . . 0.0 110.025 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' HD21 ' A' ' 77' ' ' LEU . 55.1 mt -70.48 -37.74 74.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.773 -1.205 . . . . 0.0 110.087 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.29 -43.45 64.46 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.063 -1.023 . . . . 0.0 110.212 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -71.97 -29.67 64.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.074 -1.016 . . . . 0.0 109.749 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.51 -30.36 59.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.125 -0.984 . . . . 0.0 110.936 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.3 mp -52.4 -55.94 27.18 Favored Pre-proline 0 N--CA 1.487 1.399 0 O-C-N 120.772 -1.205 . . . . 0.0 111.247 -178.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 Cg_exo -54.88 -30.29 67.73 Favored 'Trans proline' 0 C--N 1.323 -0.813 0 C-N-CA 120.521 0.814 . . . . 0.0 110.13 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.2 33.53 1.08 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.184 -0.948 . . . . 0.0 109.772 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -139.57 154.8 23.83 Favored Glycine 0 N--CA 1.499 2.839 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 44.3 t -71.68 -170.93 0.6 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.234 -1.156 . . . . 0.0 109.247 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -74.58 -39.32 62.31 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.053 -1.029 . . . . 0.0 109.665 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 8.0 mm-40 -71.15 -48.42 51.99 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 108.87 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.24 -33.0 64.99 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.323 -0.861 . . . . 0.0 108.842 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' OE1' ' O ' ' A' ' 66' ' ' SER . 38.9 mt-30 -67.46 -42.51 82.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.239 -0.913 . . . . 0.0 108.878 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' OE2' ' A' ' 68' ' ' GLU . 58.9 mtm180 -52.48 -30.63 31.0 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.173 -0.954 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -76.26 -51.98 10.92 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.098 -1.001 . . . . 0.0 109.524 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.621 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 2.1 m-85 -61.91 -30.66 71.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.065 -1.022 . . . . 0.0 109.089 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.2 -39.32 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.07 -43.77 91.79 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.799 -0.563 . . . . 0.0 110.238 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -71.33 -37.49 71.73 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.851 -1.155 . . . . 0.0 110.101 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 58' ' ' LEU . 78.1 mt -60.94 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.057 -1.027 . . . . 0.0 109.616 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.8 90.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.157 -0.965 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.27 -39.55 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.61 87.75 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -65.62 -26.22 67.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.248 -1.148 . . . . 0.0 109.147 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.76 -30.1 67.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 85' ' ' LYS . 29.4 mmt180 -71.24 -48.44 51.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.324 -0.86 . . . . 0.0 109.478 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 86' ' ' GLU . 47.5 mt -67.71 45.91 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.25 -0.906 . . . . 0.0 109.604 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 83' ' ' ARG . 16.2 ptmt 31.17 31.3 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.207 0.527 . . . . 0.0 111.508 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 84' ' ' LEU . 12.3 tp10 -106.39 97.03 6.88 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -85.37 -30.81 23.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.449 -0.782 . . . . 0.0 110.627 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.5 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 6.9 mp0 -66.58 -52.46 45.17 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.867 -1.145 . . . . 0.0 110.806 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -67.74 -41.25 83.7 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.887 -1.133 . . . . 0.0 110.209 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.79 -48.88 79.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.973 -1.079 . . . . 0.0 109.571 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -61.53 -19.71 62.42 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.09 -1.006 . . . . 0.0 109.035 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -71.1 -39.06 72.34 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.935 -1.103 . . . . 0.0 108.442 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -76.31 -42.0 46.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.637 -0.664 . . . . 0.0 110.046 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -32.81 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.17 -0.956 . . . . 0.0 110.126 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -71.18 -48.09 53.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.471 -1.393 . . . . 0.0 109.219 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.61 -31.31 80.47 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 21.5 tp -57.96 -38.69 76.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.531 -0.982 . . . . 0.0 108.918 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 107' ' ' ALA . 75.0 mt -75.79 -33.58 60.17 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.831 -1.168 . . . . 0.0 109.579 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -53.94 -25.16 19.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 43.1 p -94.06 -48.71 6.11 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CD ' ' NH1' ' A' ' 71' ' ' ARG . 41.2 mt-10 -130.36 77.69 75.67 Favored Pre-proline 0 N--CA 1.501 2.096 0 O-C-N 121.793 -0.567 . . . . 0.0 110.093 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.424 ' O ' ' CE ' ' A' ' 108' ' ' LYS . 2.3 Cg_endo -65.24 -17.28 58.04 Favored 'Trans proline' 0 C--N 1.318 -1.03 0 C-N-CA 121.307 1.338 . . . . 0.0 109.711 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -80.7 -2.83 48.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.29 -0.881 . . . . 0.0 109.708 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.05 102.46 5.68 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.185 -0.947 . . . . 0.0 109.507 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -69.98 -41.79 73.98 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 109.59 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.88 -28.5 56.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.269 -0.894 . . . . 0.0 109.391 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.491 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.56 -30.96 47.16 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.185 -0.947 . . . . 0.0 109.152 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' CE ' ' O ' ' A' ' 102' ' ' PRO . 84.1 mttt -72.43 -50.82 23.52 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.248 -0.907 . . . . 0.0 109.692 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -58.78 -31.42 68.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.132 -0.98 . . . . 0.0 109.382 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.0 tp -63.66 -40.82 97.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.137 -0.977 . . . . 0.0 108.927 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -61.13 -34.16 74.54 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.268 -0.895 . . . . 0.0 109.423 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.67 ' HE ' ' HZ1' ' A' ' 116' ' ' LYS . 50.0 mtp180 -63.37 -43.52 97.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.215 -0.928 . . . . 0.0 109.794 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.9 mt -57.0 -48.0 79.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.093 -1.005 . . . . 0.0 109.126 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.521 HG21 ' CD1' ' A' ' 91' ' ' LEU . 50.9 mt -66.58 -52.77 42.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.575 -0.703 . . . . 0.0 109.83 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.94 -41.4 78.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HZ1' ' HE ' ' A' ' 112' ' ' ARG . 45.4 mttp -58.26 -51.87 67.97 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.016 . . . . 0.0 109.727 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' O ' ' OD2' ' A' ' 121' ' ' ASP . . . -57.72 -49.56 76.15 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.6 ttm -47.99 -47.2 33.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.585 -0.697 . . . . 0.0 110.155 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.24 -31.62 23.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.722 -1.236 . . . . 0.0 109.205 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.412 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 31.0 ttmt -86.92 45.82 1.3 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.264 -0.898 . . . . 0.0 109.334 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.416 ' OD2' ' O ' ' A' ' 117' ' ' ALA . 60.7 m-20 -159.02 7.87 0.11 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.934 . . . . 0.0 109.204 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 123' ' ' LEU . . . -155.86 -32.56 0.03 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.1 mt 52.56 105.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.652 -0.911 . . . . 0.0 109.526 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.468 ' H ' HG23 ' A' ' 124' ' ' VAL . 2.3 t -62.01 159.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 121.276 -0.89 . . . . 0.0 109.2 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 84.34 -98.5 2.18 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 29.9 mmt 47.77 -112.62 0.47 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.295 -1.12 . . . . 0.0 109.697 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.91 129.04 34.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 109.737 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -179.24 169.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 22.2 t -147.26 -16.14 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.276 -0.89 . . . . 0.0 109.34 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.92 134.01 1.57 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.426 ' C ' ' SD ' ' A' ' 132' ' ' MET . . . -173.79 146.09 8.59 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.2 mpt? 51.83 -135.62 1.45 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -1.141 . . . . 0.0 109.475 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.52 140.68 4.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.444 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.7 mt -69.15 173.96 5.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.285 -0.885 . . . . 0.0 109.464 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -177.25 -43.65 0.06 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.66 -12.5 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.286 -1.126 . . . . 0.0 109.484 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.31 1.28 5.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.441 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 65.88 70.06 1.19 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.44 82.98 0.09 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.298 -1.119 . . . . 0.0 109.474 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.49 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 109.441 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.45 ' H ' HD12 ' A' ' 142' ' ' LEU . . . 157.84 45.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 142' ' ' LEU . 7.2 mp -72.61 -118.09 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.374 -1.074 . . . . 0.0 109.424 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 18.5 pt -77.55 -27.58 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -0.939 . . . . 0.0 109.419 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -78.0 130.17 9.98 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.705 ' H ' HD23 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -147.99 -171.67 3.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.262 -1.14 . . . . 0.0 109.409 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -54.79 138.26 42.84 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.278 -0.888 . . . . 0.0 109.458 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -161.71 86.5 0.65 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.452 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 148' ' ' HIS . 62.7 t60 -168.55 15.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.509 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 151' ' ' HIS . 12.1 t-80 -166.81 2.06 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.262 -0.899 . . . . 0.0 109.378 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 152' ' ' HIS . 57.7 t-80 -64.62 76.94 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.338 -0.852 . . . . 0.0 109.554 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 149' ' ' HIS . 11.7 t60 55.72 -82.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.459 -0.776 . . . . 0.0 109.718 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' A' ' 150' ' ' HIS . 13.8 m80 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.472 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.7 mpt? . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -166.63 -47.57 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.57 122.99 37.72 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.186 -0.946 . . . . 0.0 109.406 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.94 138.0 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.311 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.7 mm? -88.52 94.26 9.81 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -82.05 20.25 1.03 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.173 -0.954 . . . . 0.0 108.967 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 8' ' ' LEU . 33.7 tt0 -173.28 109.99 0.18 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.613 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.81 -100.2 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.46 -0.775 . . . . 0.0 109.485 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.0 t -86.89 141.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.108 -0.995 . . . . 0.0 109.586 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.2 m -80.51 133.69 35.85 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.62 -25.77 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.116 -0.99 . . . . 0.0 108.896 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 51.7 mt-10 -65.89 -46.62 77.68 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.232 -0.918 . . . . 0.0 108.952 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -68.04 -34.2 76.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.278 -0.889 . . . . 0.0 109.945 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -68.87 -49.73 55.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.085 -1.01 . . . . 0.0 109.48 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.7 mt -78.44 -34.56 47.71 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.157 -0.964 . . . . 0.0 110.512 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.5 tmmm? -52.01 -45.34 64.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.008 -1.058 . . . . 0.0 109.271 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -78.06 -27.39 48.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.1 -1.0 . . . . 0.0 108.845 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -69.86 -36.05 75.19 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -55.31 -47.44 75.6 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.12 -47.96 81.69 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.049 -1.032 . . . . 0.0 108.76 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.03 -32.72 66.47 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.263 -0.898 . . . . 0.0 109.2 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -73.19 -52.3 14.64 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.575 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -62.72 -48.82 77.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.789 -1.195 . . . . 0.0 110.039 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 29' ' ' SER . 16.9 mm-40 -57.66 -42.59 83.8 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.139 -0.976 . . . . 0.0 109.07 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -68.37 -39.91 81.63 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.204 -0.935 . . . . 0.0 108.905 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.15 74.87 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.16 -15.46 14.8 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 16.39 53.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.13 122.72 7.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.435 -1.038 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.52 121.08 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.717 . . . . 0.0 109.636 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -73.79 137.52 43.94 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.424 -0.798 . . . . 0.0 109.423 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.7 -28.66 61.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.272 -0.892 . . . . 0.0 109.237 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.6 m -61.8 -49.02 78.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.258 -0.901 . . . . 0.0 109.745 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.2 m -67.53 -40.7 85.06 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.171 -0.956 . . . . 0.0 109.242 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -60.98 -45.65 93.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 108.798 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.1 m-85 -65.59 -49.83 67.35 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.525 -0.735 . . . . 0.0 110.449 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 44.5 mt-10 -70.79 -14.91 62.6 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.933 -1.104 . . . . 0.0 109.748 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 19.3 t80 -78.75 -37.21 41.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.166 -0.959 . . . . 0.0 109.028 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -70.81 -37.69 73.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.106 -0.996 . . . . 0.0 108.887 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -54.14 -51.33 64.62 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 m -53.2 -40.27 64.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.491 -0.755 . . . . 0.0 109.819 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -77.81 -42.15 34.78 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.026 -1.046 . . . . 0.0 110.403 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 98.7 t -53.28 -21.49 3.95 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 O-C-N 121.059 -1.026 . . . . 0.0 109.835 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -107.72 31.01 5.79 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.738 -0.601 . . . . 0.0 109.681 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -96.84 159.93 14.65 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.991 -1.068 . . . . 0.0 109.282 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -79.53 -9.75 59.67 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -93.57 138.61 31.66 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -70.44 -47.96 58.2 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.321 -0.862 . . . . 0.0 110.015 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -32.05 20.95 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.998 -1.064 . . . . 0.0 110.252 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.4 -34.47 77.33 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.929 -1.107 . . . . 0.0 108.956 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.4 mt -79.68 -47.11 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 120.869 -1.144 . . . . 0.0 108.466 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.521 HH11 ' HG2' ' A' ' 52' ' ' ARG . 3.0 ttt-85 -55.54 -27.84 51.29 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -83.64 -46.97 11.74 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.74 -36.07 91.05 Favored Glycine 0 N--CA 1.488 2.137 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.0 mt -65.08 -44.42 95.71 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 O-C-N 121.057 -1.26 . . . . 0.0 108.83 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -62.08 -48.35 88.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD22 ' OE1' ' A' ' 35' ' ' GLN . 38.7 mt -49.53 -43.65 45.83 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 120.316 -0.554 . . . . 0.0 109.673 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.5 mt -73.36 -45.37 55.43 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.929 -1.107 . . . . 0.0 109.705 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -52.65 -35.62 55.25 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.19 -0.944 . . . . 0.0 110.288 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -73.7 -35.03 65.1 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.089 -1.007 . . . . 0.0 110.361 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.62 -29.19 56.4 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.137 -0.977 . . . . 0.0 110.925 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 mp -50.98 -56.03 23.05 Favored Pre-proline 0 N--CA 1.487 1.398 0 O-C-N 120.759 -1.213 . . . . 0.0 110.9 -178.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.6 Cg_exo -54.23 -27.78 49.03 Favored 'Trans proline' 0 C--N 1.323 -0.777 0 N-CA-C 110.033 -0.795 . . . . 0.0 110.033 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -93.34 26.33 2.99 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.223 -0.923 . . . . 0.0 109.494 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.22 154.54 20.88 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.8 t -73.92 -169.25 0.71 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.305 -1.114 . . . . 0.0 109.193 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -74.36 -38.29 63.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.053 . . . . 0.0 109.695 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.96 -49.49 51.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.269 -0.894 . . . . 0.0 109.191 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.58 -32.65 69.15 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.303 -0.873 . . . . 0.0 109.075 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 74' ' ' VAL . 19.2 mt-30 -66.24 -45.93 78.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.133 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -52.43 -30.8 31.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.938 . . . . 0.0 109.502 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.19 -51.91 11.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.012 -1.055 . . . . 0.0 109.566 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.1 m-85 -61.8 -33.84 74.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.079 -1.013 . . . . 0.0 109.185 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 38.6 t -58.87 -39.57 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -59.57 -46.57 88.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.764 -0.585 . . . . 0.0 110.572 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -68.13 -37.75 81.43 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.706 -1.246 . . . . 0.0 110.246 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -43.65 96.07 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.073 -1.017 . . . . 0.0 109.47 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.98 -34.6 72.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.111 -0.993 . . . . 0.0 109.292 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.49 -38.39 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.09 -41.9 69.22 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -69.45 -27.29 65.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.149 -1.207 . . . . 0.0 109.528 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.42 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.5 t80 -71.51 -29.88 65.3 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 0.0 109.413 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 61.1 ttt180 -72.94 -42.71 63.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.113 -0.992 . . . . 0.0 109.976 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 86' ' ' GLU . 74.5 mt -70.36 28.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.965 -1.084 . . . . 0.0 109.926 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.3 mtpt 58.85 -0.59 0.13 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.151 -0.968 . . . . 0.0 110.061 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -77.07 94.6 4.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.059 -1.026 . . . . 0.0 108.698 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.72 -36.43 21.83 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.94 -50.77 69.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.235 -0.916 . . . . 0.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -63.76 -45.77 88.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.136 -0.977 . . . . 0.0 109.903 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.5 73.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.115 -0.991 . . . . 0.0 109.654 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.554 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.1 mp -58.83 -18.35 31.79 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.157 -0.964 . . . . 0.0 109.021 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -74.87 -39.73 61.36 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.827 -1.17 . . . . 0.0 108.525 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -76.21 -37.8 57.27 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.633 -0.667 . . . . 0.0 110.13 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -31.69 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.159 -0.963 . . . . 0.0 110.301 -178.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -75.25 -48.24 24.28 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.468 -1.395 . . . . 0.0 109.206 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.42 -28.64 71.44 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.5 tp -63.3 -38.8 92.58 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.5 -1.0 . . . . 0.0 108.354 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -78.88 -29.66 44.55 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.016 -1.053 . . . . 0.0 110.67 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -53.74 -37.36 63.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -34.45 16.58 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -133.91 73.98 69.96 Favored Pre-proline 0 N--CA 1.502 2.168 0 O-C-N 121.607 -0.683 . . . . 0.0 109.673 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.0 -18.67 57.44 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 C-N-CA 121.444 1.429 . . . . 0.0 109.727 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -80.41 -4.8 55.03 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.275 -0.891 . . . . 0.0 109.961 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' A' ' 107' ' ' ALA . 54.2 t-20 -74.66 104.52 5.36 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 109.485 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -74.46 -40.55 61.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.28 -0.888 . . . . 0.0 109.876 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.44 -28.48 59.66 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.179 -0.95 . . . . 0.0 109.424 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.726 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.33 -27.27 47.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.205 -0.934 . . . . 0.0 109.073 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -74.33 -50.73 17.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.711 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.82 -32.67 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.42 -43.59 98.6 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -61.8 -34.14 75.37 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -57.04 -45.02 83.5 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.54 -0.725 . . . . 0.0 109.653 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 23.4 mt -57.36 -46.26 83.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.273 -0.892 . . . . 0.0 109.176 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.6 mt -66.45 -46.55 86.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.442 -0.786 . . . . 0.0 109.386 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -54.95 -41.71 71.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 109.734 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -56.4 -49.99 72.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.132 -0.98 . . . . 0.0 109.858 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.53 76.14 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 119.019 -1.072 . . . . 0.0 108.149 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.8 mtp -47.98 -48.43 32.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.542 -0.724 . . . . 0.0 110.209 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.35 -20.6 60.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.522 -1.362 . . . . 0.0 109.105 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 122' ' ' GLY . 5.8 tppt? -67.49 -2.67 6.83 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.263 -0.898 . . . . 0.0 109.239 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -74.69 24.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.22 -0.925 . . . . 0.0 109.538 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.476 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 93.37 -20.83 44.03 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.4 mt -49.53 138.58 13.51 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.135 -1.215 . . . . 0.0 109.001 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 124' ' ' VAL . 1.6 t -70.83 137.13 24.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.306 -0.872 . . . . 0.0 109.592 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 159.62 -78.68 0.17 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 14.2 mmt 46.56 -139.08 0.57 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.249 -1.148 . . . . 0.0 109.551 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.81 133.17 52.92 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 0.0 109.007 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 129' ' ' VAL . 96.0 mt -125.96 162.56 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.536 -0.728 . . . . 0.0 109.216 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 128' ' ' ILE . 5.1 t -145.96 -5.57 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.257 -0.902 . . . . 0.0 109.365 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -48.47 -52.13 20.03 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 168.72 -109.06 0.32 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.0 mmt 52.35 21.99 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.299 -1.118 . . . . 0.0 109.422 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.38 144.14 46.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.37 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.51 -155.82 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.16 -0.963 . . . . 0.0 109.393 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 68.77 60.86 5.04 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.474 ' H ' HG22 ' A' ' 136' ' ' VAL . 1.6 m -73.58 102.09 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.22 -1.165 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.75 160.53 43.13 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -76.44 86.41 0.93 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 15.5 mt -81.39 -22.54 38.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.224 -1.162 . . . . 0.0 109.44 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 142' ' ' LEU . . . -141.53 14.56 2.16 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.301 -0.875 . . . . 0.0 109.363 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -45.62 92.5 0.01 OUTLIER Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 144' ' ' GLY . 5.7 mt -78.61 118.27 20.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.324 -1.104 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.663 ' N ' HD12 ' A' ' 143' ' ' ILE . 1.6 mp 61.11 -42.32 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 CA-C-O 120.84 0.352 . . . . 0.0 110.337 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 142' ' ' LEU . . . 162.3 -173.56 38.6 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.2 mt -87.67 108.6 19.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.289 -1.124 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 22.0 mp0 -46.41 126.19 7.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.305 -0.872 . . . . 0.0 109.682 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 148' ' ' HIS . 64.0 t60 -58.48 124.09 18.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.512 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 147' ' ' HIS . 37.6 m-70 -72.14 162.03 30.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.608 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 0.9 OUTLIER -168.89 -133.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 109.508 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.608 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 93.0 m-70 -157.33 -153.53 0.41 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 0.0 109.323 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -169.13 114.99 0.59 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.255 -0.903 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.502 -179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.0 mpt? . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.321 0.581 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -168.17 -46.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.89 114.68 9.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.7 t -147.5 75.47 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.6 mm? -90.38 178.89 6.01 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.906 . . . . 0.0 109.161 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.403 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 1.3 p-10 -164.55 47.37 0.1 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.461 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -167.33 80.2 0.2 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 109.023 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.9 mt -66.5 -23.37 66.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.8 t -148.93 117.2 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.287 -0.883 . . . . 0.0 109.457 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -81.04 141.29 34.52 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -49.41 -26.86 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 108.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 81.4 mm-40 -65.93 -45.85 80.34 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.98 . . . . 0.0 109.223 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.69 -46.04 84.06 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.264 -0.898 . . . . 0.0 110.423 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.53 91.03 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.98 -1.075 . . . . 0.0 109.709 -179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.39 -36.91 45.23 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.926 -1.109 . . . . 0.0 110.087 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 32.9 ttpt -51.84 -54.27 30.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.986 -1.071 . . . . 0.0 108.989 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.04 -25.83 64.67 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 108.981 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.31 -35.77 73.87 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -53.96 -47.09 71.69 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -62.36 -48.98 77.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.975 . . . . 0.0 108.794 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -53.65 -37.16 62.85 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.207 -0.933 . . . . 0.0 109.131 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -72.36 -52.53 15.68 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.488 -0.758 . . . . 0.0 109.935 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.91 -50.16 74.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.762 -1.211 . . . . 0.0 109.829 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 29' ' ' SER . 11.8 mm-40 -58.41 -52.0 67.47 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.096 -1.002 . . . . 0.0 108.933 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' GLY . 33.6 ttpt -57.16 -41.06 78.48 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.171 -0.956 . . . . 0.0 108.933 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.78 64.95 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.61 -14.85 34.03 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' LYS . . . 99.75 10.68 46.07 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -153.75 159.1 41.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.445 -1.033 . . . . 0.0 109.191 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.7 t -136.84 123.68 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.372 -0.83 . . . . 0.0 109.426 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.0 m -68.24 139.07 56.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.396 -0.815 . . . . 0.0 109.374 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -57.75 -35.72 71.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.306 -0.871 . . . . 0.0 109.166 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.6 t -55.41 -49.55 72.08 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.358 -0.839 . . . . 0.0 109.71 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.8 m -64.77 -39.43 93.6 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.112 -0.992 . . . . 0.0 109.02 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.593 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -62.28 -37.1 84.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 108.874 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 15.1 m-85 -68.91 -51.31 41.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.293 -0.879 . . . . 0.0 110.464 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -68.76 -14.27 62.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.164 -0.96 . . . . 0.0 109.853 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.2 t80 -79.24 -34.65 42.55 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.282 -0.886 . . . . 0.0 109.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 43' ' ' VAL . . . -72.26 -34.69 68.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.059 -1.026 . . . . 0.0 108.917 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -56.71 -53.19 60.64 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.268 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.18 -35.74 67.58 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.401 -0.812 . . . . 0.0 110.229 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.1 mt -79.22 -55.94 4.72 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.991 -1.068 . . . . 0.0 111.507 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 39' ' ' ALA . 33.3 m -54.65 -18.25 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 120.758 -1.214 . . . . 0.0 109.913 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -102.69 19.25 19.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 109.068 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 32.0 t -85.25 -151.5 0.14 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.18 -0.95 . . . . 0.0 109.599 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' N ' ' OG ' ' A' ' 45' ' ' SER . 9.0 ptmm? -138.99 39.67 2.14 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.357 -0.84 . . . . 0.0 109.14 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -152.82 131.04 11.97 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -59.49 -39.21 83.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.391 -0.818 . . . . 0.0 111.555 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -51.79 -44.33 63.4 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.656 -1.277 . . . . 0.0 111.027 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -74.67 -45.2 46.14 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.971 -1.081 . . . . 0.0 109.312 -179.604 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.13 -48.26 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.073 -1.017 . . . . 0.0 108.746 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 56' ' ' VAL . 96.6 mtt180 -54.63 -30.11 53.97 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -85.4 -40.52 16.37 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -62.03 -30.83 76.66 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.66 -42.93 62.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -1.122 . . . . 0.0 109.108 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.8 t -66.17 -44.03 91.74 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 O-C-N 121.221 -0.925 . . . . 0.0 108.682 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.593 HD22 ' OE1' ' A' ' 35' ' ' GLN . 28.6 mt -49.06 -46.9 45.12 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.707 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 35.2 mt -76.1 -42.59 46.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.933 -1.105 . . . . 0.0 109.98 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -51.19 -42.22 60.75 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.107 -0.996 . . . . 0.0 109.891 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -73.34 -32.02 64.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.116 -0.99 . . . . 0.0 109.94 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.7 mt -77.79 -29.67 50.91 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.99 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.5 mp -51.76 -55.59 28.69 Favored Pre-proline 0 N--CA 1.488 1.445 0 O-C-N 120.779 -1.201 . . . . 0.0 111.181 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.4 Cg_exo -52.17 -18.1 6.96 Favored 'Trans proline' 0 C--N 1.321 -0.875 0 CA-C-N 119.258 0.771 . . . . 0.0 110.364 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 58.25 0.7 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.413 -0.804 . . . . 0.0 110.072 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.12 161.15 29.24 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -70.14 -176.57 1.18 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.19 -1.182 . . . . 0.0 109.031 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -74.55 -41.08 61.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.999 -1.063 . . . . 0.0 109.516 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.82 -37.41 62.31 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -59.74 -39.23 84.05 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 74' ' ' VAL . 54.6 mt-30 -65.32 -41.74 93.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.241 -0.912 . . . . 0.0 109.079 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -52.55 -30.69 32.03 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.252 -0.905 . . . . 0.0 109.404 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.32 -52.05 10.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.115 -0.99 . . . . 0.0 109.333 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 1.8 m-85 -59.69 -32.66 70.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 108.986 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 70' ' ' GLN . 29.1 t -60.68 -41.3 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.412 -0.805 . . . . 0.0 108.842 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 65.3 t80 -59.23 -47.61 84.69 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.671 -0.643 . . . . 0.0 110.788 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -65.46 -36.85 85.12 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.738 -1.226 . . . . 0.0 110.665 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.72 -44.1 93.87 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.967 -1.083 . . . . 0.0 109.697 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.74 -31.23 70.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.41 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.75 -42.98 40.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.066 -1.021 . . . . 0.0 110.112 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.47 90.31 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -75.11 -30.25 60.82 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.187 -1.184 . . . . 0.0 109.638 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -63.21 -31.7 72.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.332 -0.855 . . . . 0.0 109.115 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 85' ' ' LYS . 56.5 mtp180 -76.5 -42.88 41.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.288 -0.883 . . . . 0.0 110.313 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 86' ' ' GLU . 64.3 mt -70.23 33.84 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.062 -1.024 . . . . 0.0 110.412 -179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' TYR . 46.2 tttp 63.65 -31.24 0.11 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.277 -0.89 . . . . 0.0 110.686 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 84' ' ' LEU . 43.2 mt-10 -49.83 95.55 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.732 -1.23 . . . . 0.0 108.742 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.6 m-85 -83.82 -42.59 16.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.145 -0.972 . . . . 0.0 110.751 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.83 -42.4 63.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.267 -0.895 . . . . 0.0 110.672 -178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -54.26 -48.97 70.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.891 -1.131 . . . . 0.0 108.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.29 -29.63 69.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.283 -0.886 . . . . 0.0 109.004 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.5 tp -72.62 -21.43 61.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.485 -0.76 . . . . 0.0 109.305 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.51 -36.21 57.89 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.023 -1.048 . . . . 0.0 108.366 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -75.27 -40.9 58.3 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.65 -0.656 . . . . 0.0 109.754 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -34.67 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.319 -0.863 . . . . 0.0 110.584 -178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -71.57 -48.0 51.26 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.457 -1.402 . . . . 0.0 109.841 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.53 -30.11 76.73 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.02 -37.56 77.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.652 -0.91 . . . . 0.0 109.075 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 73.9 mt -75.66 -28.91 58.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.73 -1.231 . . . . 0.0 109.917 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 3.2 tp60 -57.93 -28.62 64.44 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 60.7 p -87.95 -50.58 6.33 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.647 -0.658 . . . . 0.0 109.667 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -130.7 78.02 74.59 Favored Pre-proline 0 N--CA 1.501 2.106 0 O-C-N 121.667 -0.645 . . . . 0.0 110.153 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.524 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 5.8 Cg_exo -62.7 -13.42 33.88 Favored 'Trans proline' 0 C--N 1.318 -1.07 0 C-N-CA 121.212 1.275 . . . . 0.0 109.517 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -81.67 -3.25 53.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.295 -0.878 . . . . 0.0 109.799 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -76.85 97.0 4.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.073 -1.017 . . . . 0.0 109.587 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -65.83 -43.67 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.889 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' NE2' ' CZ ' ' A' ' 75' ' ' PHE . 4.8 tt0 -55.24 -28.13 51.16 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.311 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -79.18 -27.97 42.66 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.148 -0.97 . . . . 0.0 109.048 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 64.4 mttm -73.72 -50.42 20.85 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.338 -0.852 . . . . 0.0 109.611 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.3 -37.46 72.5 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.14 -0.975 . . . . 0.0 109.26 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 24.9 tp -62.96 -38.55 91.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.095 -1.003 . . . . 0.0 108.78 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.28 -32.61 74.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.333 -0.855 . . . . 0.0 108.788 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -63.19 -47.02 84.38 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.496 -0.753 . . . . 0.0 109.59 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.54 -44.6 93.18 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 109.599 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 60.5 mt -67.72 -45.7 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.346 -0.846 . . . . 0.0 109.618 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.2 -46.2 71.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.278 -0.889 . . . . 0.0 110.194 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -70.26 -51.0 33.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.973 -1.079 . . . . 0.0 110.98 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.42 -51.45 69.37 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.6 -1.313 . . . . 0.0 108.363 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.405 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 10.5 ttp -52.75 -30.23 31.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 110.207 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -78.27 -15.44 58.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.78 -1.2 . . . . 0.0 108.937 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 122' ' ' GLY . 1.6 ttmp? -78.2 -7.72 57.45 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.437 -0.789 . . . . 0.0 109.42 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 118' ' ' MET . 39.9 p-10 -71.34 16.04 0.11 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -140.75 66.97 0.49 Allowed Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.79 120.12 10.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.407 -1.055 . . . . 0.0 109.702 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.5 t -150.28 153.98 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.499 -0.75 . . . . 0.0 109.169 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 58.69 94.69 0.01 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 125' ' ' GLY . 18.4 mmt -49.08 -92.01 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -1.202 . . . . 0.0 109.212 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.18 133.09 42.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.204 -0.935 . . . . 0.0 109.08 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 129' ' ' VAL . 57.9 mt -138.19 166.59 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.334 -0.854 . . . . 0.0 108.705 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.533 ' N ' HG22 ' A' ' 128' ' ' ILE . 32.7 t -146.89 -17.91 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.253 -0.904 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.43 78.4 0.03 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -173.44 121.73 0.87 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 42.2 ttp -165.04 -39.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.24 -1.153 . . . . 0.0 109.387 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.72 23.43 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 122.23 1.014 . . . . 0.0 109.282 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 mt -94.77 63.08 2.77 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.292 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -164.28 74.15 0.17 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.0 m -62.06 78.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -1.159 . . . . 0.0 109.313 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -155.37 25.36 0.41 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.168 -0.958 . . . . 0.0 109.531 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.618 ' H ' HD12 ' A' ' 139' ' ' LEU . . . -159.32 72.1 0.23 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.371 -1.491 . . . . 0.0 109.371 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.618 HD12 ' H ' ' A' ' 138' ' ' GLY . 5.0 mp -140.89 -52.51 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.266 -1.137 . . . . 0.0 109.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.26 -108.01 0.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.366 -0.834 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 159.65 87.3 0.06 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.1 mt -82.86 -43.32 16.73 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -1.123 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 144' ' ' GLY . 15.5 tt -171.91 -36.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.367 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 143' ' ' ILE . . . 143.29 173.47 14.89 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.1 mt -80.3 -153.43 0.09 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.169 -1.195 . . . . 0.0 109.338 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 148' ' ' HIS . 72.5 mm-40 -89.21 76.6 7.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.288 -0.882 . . . . 0.0 109.418 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 147' ' ' HIS . 66.1 t60 -75.89 26.9 0.11 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.224 -0.923 . . . . 0.0 109.424 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 150' ' ' HIS . 40.8 t-80 51.96 97.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.226 -0.921 . . . . 0.0 109.485 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -69.25 72.93 0.31 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.477 ' O ' ' CE1' ' A' ' 148' ' ' HIS . 7.3 m-70 52.08 -166.4 0.05 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.263 -0.898 . . . . 0.0 109.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.83 128.22 34.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.488 ' N ' ' ND1' ' A' ' 152' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.501 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' ALA . 2.1 pp20? -163.84 137.74 5.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.426 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' GLU . . . 49.26 97.67 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.372 -0.83 . . . . 0.0 109.626 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.8 t -75.02 59.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -0.91 . . . . 0.0 109.622 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.36 -155.96 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.283 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -93.45 177.17 6.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.232 -0.918 . . . . 0.0 109.037 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' CD ' ' N ' ' A' ' 7' ' ' GLU . 1.3 pm0 -172.3 176.03 3.49 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.433 -0.792 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.65 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.86 129.05 34.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 121.328 -0.858 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.8 p -63.75 130.94 46.27 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.268 -0.895 . . . . 0.0 109.181 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -47.58 -25.28 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.273 -0.892 . . . . 0.0 109.084 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.1 mp0 -70.99 -44.26 66.31 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.133 -0.979 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.55 -42.12 99.33 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.855 . . . . 0.0 110.714 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.23 -43.73 60.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.883 -1.136 . . . . 0.0 109.832 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.4 mt -78.34 -19.09 54.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.753 -1.217 . . . . 0.0 110.094 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.3 ttpt -68.74 -50.86 47.16 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.015 -1.053 . . . . 0.0 109.84 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -76.96 -26.59 54.15 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.969 -1.082 . . . . 0.0 109.497 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' OE2' ' CE1' ' A' ' 38' ' ' TYR . 5.8 tp10 -73.96 -33.88 64.05 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -54.36 -48.86 70.98 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 6.0 mtpp -58.34 -47.45 83.72 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.033 -1.042 . . . . 0.0 108.568 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -53.41 -32.44 49.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.321 -0.862 . . . . 0.0 109.715 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -73.19 -52.92 12.34 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.663 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.3 m -65.56 -47.43 75.87 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.666 -1.271 . . . . 0.0 110.033 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -58.01 -38.98 77.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.117 -0.989 . . . . 0.0 108.961 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -72.6 -37.19 68.2 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.158 -0.964 . . . . 0.0 108.749 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.93 72.78 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -15.63 12.76 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.0 17.0 53.18 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.5 m -153.86 121.33 5.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.514 -0.992 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.24 121.79 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.45 -0.781 . . . . 0.0 109.759 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -71.01 139.56 50.53 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.357 -0.839 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -56.17 -32.35 64.25 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.327 -0.858 . . . . 0.0 109.22 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.4 t -54.1 -49.1 69.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.555 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 m -65.39 -41.62 93.48 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.141 -0.974 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -58.1 -41.23 83.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.185 -0.947 . . . . 0.0 109.27 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 73' ' ' TYR . 22.8 m-85 -68.06 -50.9 52.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.422 -0.799 . . . . 0.0 110.313 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.27 -14.71 61.84 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.123 -0.986 . . . . 0.0 110.453 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.506 ' CE1' ' OE2' ' A' ' 18' ' ' GLU . 20.3 t80 -77.01 -37.31 55.31 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.676 -1.265 . . . . 0.0 109.211 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.85 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.11 -37.37 69.54 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.121 -0.987 . . . . 0.0 109.301 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -47.74 75.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.884 -1.135 . . . . 0.0 108.095 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 65.8 m -54.71 -42.35 71.37 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.459 -0.775 . . . . 0.0 109.64 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.48 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -78.1 -41.31 35.62 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.193 -0.942 . . . . 0.0 110.766 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 39' ' ' ALA . 66.7 t -52.83 -20.26 2.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 O-C-N 120.952 -1.093 . . . . 0.0 109.816 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.567 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.4 OUTLIER -113.71 27.42 9.56 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.729 -0.607 . . . . 0.0 109.414 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.9 t -87.07 158.47 19.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.929 -1.107 . . . . 0.0 109.482 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -73.97 -11.84 60.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -94.77 136.68 34.8 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.275 -0.891 . . . . 0.0 109.365 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' ' OD1' ' A' ' 49' ' ' ASP . 13.1 p-10 -70.63 -48.65 53.95 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 110.017 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' OD1' ' ND2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -52.22 -27.51 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.037 -1.04 . . . . 0.0 110.267 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.9 -29.92 69.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.963 -1.085 . . . . 0.0 108.99 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -77.6 -39.17 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.058 -1.026 . . . . 0.0 108.775 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.2 mtt180 -54.11 -54.69 36.01 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -57.74 -45.28 86.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.52 -40.55 96.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.9 mt -67.66 -38.87 81.15 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 120.984 -1.304 . . . . 0.0 108.871 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 52' ' ' ARG . 72.7 t -66.88 -47.02 83.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 57' ' ' LEU . 34.2 mt -49.65 -49.07 48.71 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.899 -0.501 . . . . 0.0 110.09 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.8 mt -69.88 -41.98 74.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.813 -1.18 . . . . 0.0 109.859 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.429 ' CD ' ' HH ' ' A' ' 93' ' ' TYR . 14.3 mm-40 -51.33 -39.13 56.35 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.034 -1.041 . . . . 0.0 109.979 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.63 -29.03 62.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.112 -0.992 . . . . 0.0 109.779 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.64 -31.67 57.51 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.266 -0.897 . . . . 0.0 110.932 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 6.1 mp -53.68 -54.82 41.88 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 120.752 -1.217 . . . . 0.0 111.565 -178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 1.6 Cg_endo -56.52 -27.75 70.53 Favored 'Trans proline' 0 C--N 1.324 -0.737 0 CA-C-N 119.553 0.876 . . . . 0.0 110.343 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.2 -4.28 57.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.165 -0.959 . . . . 0.0 110.18 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.47 154.52 20.4 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.429 ' O ' ' OE1' ' A' ' 70' ' ' GLN . 6.7 m -68.76 -167.4 0.1 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.166 -1.196 . . . . 0.0 108.937 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' HD3' ' H ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -74.97 -41.18 60.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.888 -1.132 . . . . 0.0 109.342 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.54 -45.27 72.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.406 -0.809 . . . . 0.0 109.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 35.8 mt-10 -64.25 -30.09 71.16 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.142 -0.974 . . . . 0.0 109.529 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 66' ' ' SER . 32.6 mt-30 -66.77 -55.1 16.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.082 -1.011 . . . . 0.0 109.799 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -52.55 -26.63 13.78 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.984 -1.072 . . . . 0.0 109.613 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.98 -53.02 9.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.815 -1.178 . . . . 0.0 109.533 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.628 ' CZ ' ' CZ ' ' A' ' 36' ' ' PHE . 9.2 m-85 -61.99 -31.94 72.36 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.913 -1.117 . . . . 0.0 108.611 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 t -59.36 -37.41 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.57 -46.13 89.83 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.824 -0.547 . . . . 0.0 110.119 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -67.45 -37.28 82.71 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.871 -1.143 . . . . 0.0 110.008 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.06 -45.08 96.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.072 -1.018 . . . . 0.0 109.612 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.68 -33.9 68.84 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.08 -1.013 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.6 -38.93 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.877 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.12 -42.25 91.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -69.38 -28.04 65.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.191 -1.182 . . . . 0.0 109.653 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -68.34 -29.82 68.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.198 -0.939 . . . . 0.0 109.04 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 85' ' ' LYS . 29.5 mmt180 -71.75 -44.21 64.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 0.0 109.659 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -72.17 27.24 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.149 -0.97 . . . . 0.0 109.914 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' ARG . 34.6 mttp 56.42 2.82 0.09 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.2 -0.937 . . . . 0.0 109.96 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 60.5 mm-40 -75.9 93.69 3.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.104 -0.998 . . . . 0.0 109.129 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -84.15 -36.49 22.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.27 -0.894 . . . . 0.0 109.901 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.29 -50.6 72.35 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.14 -0.975 . . . . 0.0 109.982 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -68.97 -44.09 73.63 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.118 -0.989 . . . . 0.0 109.826 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.76 -35.91 71.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.193 -0.942 . . . . 0.0 109.685 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.6 mp -76.59 -19.48 57.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.138 -0.976 . . . . 0.0 109.556 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -73.31 -36.3 66.22 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' HH ' ' CD ' ' A' ' 59' ' ' GLU . 47.5 m-85 -76.54 -39.5 52.7 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.736 -0.602 . . . . 0.0 109.95 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -31.34 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.209 -0.932 . . . . 0.0 110.675 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -70.87 -48.49 53.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.395 -1.441 . . . . 0.0 109.624 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.05 -29.51 75.56 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 100' ' ' THR . 16.7 tp -59.94 -38.69 83.13 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.598 -0.943 . . . . 0.0 108.826 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD21 ' HB3' ' A' ' 107' ' ' ALA . 79.3 mt -75.47 -33.72 60.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.786 -1.196 . . . . 0.0 109.378 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -53.63 -26.01 20.28 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 45.8 p -92.97 -48.61 6.44 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -128.43 77.74 76.73 Favored Pre-proline 0 N--CA 1.502 2.132 0 O-C-N 121.84 -0.537 . . . . 0.0 110.075 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -64.34 -24.56 64.58 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 121.265 1.31 . . . . 0.0 109.693 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.633 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 7.6 pm0 -77.25 5.94 7.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.216 -0.928 . . . . 0.0 109.474 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -78.97 101.37 7.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 109.464 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -72.0 -36.94 69.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.745 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -56.8 -44.35 81.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.143 -0.973 . . . . 0.0 109.383 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -62.06 -38.09 87.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.386 -0.821 . . . . 0.0 109.484 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.26 -39.39 82.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -61.65 -51.6 67.79 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.131 -0.981 . . . . 0.0 109.578 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.9 tp -52.23 -42.55 63.69 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.433 -0.792 . . . . 0.0 109.515 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -64.08 -40.91 97.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.105 -0.997 . . . . 0.0 109.217 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.4 -49.39 77.76 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.254 -0.904 . . . . 0.0 109.835 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.5 mt -57.07 -42.8 81.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 109.157 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.59 HG21 ' CD1' ' A' ' 91' ' ' LEU . 35.4 mt -71.68 -45.22 67.58 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.344 -0.848 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -57.99 -42.17 84.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.431 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -55.93 -48.72 75.19 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.145 -0.972 . . . . 0.0 109.405 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.49 -49.19 77.09 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.8 mmm -49.32 -47.89 46.82 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.446 -0.783 . . . . 0.0 110.423 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -68.2 -26.9 65.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.568 -1.332 . . . . 0.0 109.198 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 122' ' ' GLY . 31.5 ttmt -74.33 -3.65 31.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.227 -0.921 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -68.05 8.8 0.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.208 -0.933 . . . . 0.0 109.554 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 84.07 17.8 64.31 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.62 120.31 23.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -1.167 . . . . 0.0 109.233 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.3 t -147.98 151.34 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.262 -0.899 . . . . 0.0 109.537 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 49.92 63.72 4.02 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.424 ' O ' ' O ' ' A' ' 125' ' ' GLY . 47.5 mtt -59.54 -158.42 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -1.171 . . . . 0.0 108.892 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.39 129.12 27.62 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.96 -1.087 . . . . 0.0 109.029 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.6 mt -142.95 157.41 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.407 ' H ' ' H ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -154.48 -21.67 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 129' ' ' VAL . . . -54.6 -94.91 0.01 OUTLIER Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 132' ' ' MET . . . 67.04 152.36 0.22 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 131' ' ' GLY . 11.4 tpt 59.29 153.75 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.377 -1.072 . . . . 0.0 109.623 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -79.13 145.31 33.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.256 -0.902 . . . . 0.0 109.459 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.0 mt -78.68 -154.96 0.08 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.273 -0.892 . . . . 0.0 109.469 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.93 36.58 21.59 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 138' ' ' GLY . 39.7 t -79.35 -35.96 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.405 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 45.81 15.87 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.553 -0.717 . . . . 0.0 109.71 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 136' ' ' VAL . . . -69.07 72.68 0.4 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 141' ' ' GLY . 85.7 mt -136.58 -96.03 0.22 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.385 -1.068 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 44.68 15.07 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.364 -0.835 . . . . 0.0 110.363 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 139' ' ' LEU . . . 46.43 60.64 4.59 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 24.6 mt -79.44 -160.43 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.193 -1.181 . . . . 0.0 109.235 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 143' ' ' ILE . 0.0 OUTLIER -89.6 14.84 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.213 -0.93 . . . . 0.0 108.97 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -62.43 -4.14 6.26 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 146' ' ' GLU . 2.0 tp -102.55 115.07 29.83 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 148' ' ' HIS . 76.1 mt-10 -148.63 -23.88 0.32 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.283 -0.885 . . . . 0.0 109.363 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 51.45 -89.62 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.27 -0.894 . . . . 0.0 109.567 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.524 ' N ' ' O ' ' A' ' 146' ' ' GLU . 15.0 t-80 -162.97 -32.39 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.397 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 12.8 t-80 -166.73 -141.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.263 -0.898 . . . . 0.0 109.464 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.644 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 10.2 p80 -172.3 146.48 1.84 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.198 -0.938 . . . . 0.0 109.446 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 5.7 t60 -170.91 126.06 0.69 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.244 -0.91 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 63.9 m80 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.422 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.1 ttm . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 121.278 0.561 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -170.1 96.26 0.27 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.0 109.442 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.61 162.28 6.38 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.238 -0.914 . . . . 0.0 109.499 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.5 m -65.5 138.57 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 O-C-N 121.216 -0.927 . . . . 0.0 109.514 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 6' ' ' ASN . 13.1 mt -81.99 -154.24 0.12 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.253 -0.905 . . . . 0.0 109.575 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' GLU . 3.5 m120 61.47 126.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.449 -0.782 . . . . 0.0 109.958 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' O ' ' O ' ' A' ' 6' ' ' ASN . 34.3 tt0 54.58 106.99 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 1.0 OUTLIER -51.98 120.32 5.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.226 -0.921 . . . . 0.0 108.801 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' LEU . 9.4 t 58.54 119.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.571 -0.706 . . . . 0.0 110.163 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.5 p -62.16 138.96 58.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.194 -0.941 . . . . 0.0 108.833 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.19 -25.12 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 2.0 mp0 -70.3 -46.31 64.54 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.19 -0.944 . . . . 0.0 109.672 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.92 -37.27 86.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.168 -0.957 . . . . 0.0 110.446 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD23 ' SG ' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -73.4 -44.68 57.97 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.844 -1.16 . . . . 0.0 109.402 -179.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.0 mt -78.18 -26.6 47.69 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.888 -1.133 . . . . 0.0 109.589 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 1.3 tmmm? -62.69 -44.38 96.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.052 -1.03 . . . . 0.0 109.021 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -78.17 -27.4 48.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.164 -0.96 . . . . 0.0 108.754 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -70.75 -37.91 73.45 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -55.36 -47.84 75.14 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -56.83 -46.7 81.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.096 -1.002 . . . . 0.0 108.813 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -53.5 -34.44 58.1 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.349 -0.844 . . . . 0.0 109.545 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -72.49 -53.64 11.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.135 -0.978 . . . . 0.0 109.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.0 p -57.73 -50.05 74.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.798 -1.189 . . . . 0.0 109.756 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.64 -49.52 77.2 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.178 -0.951 . . . . 0.0 109.009 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -64.97 -39.28 93.24 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.24 -0.913 . . . . 0.0 108.968 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.17 72.64 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.57 -15.0 15.48 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.57 16.92 51.2 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 m -153.68 123.88 6.98 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.46 -1.023 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.99 118.83 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.516 -0.74 . . . . 0.0 109.688 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -70.16 137.8 51.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.458 -0.776 . . . . 0.0 109.413 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -57.95 -17.75 19.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.325 -0.859 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 t -66.95 -49.08 66.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.364 -0.835 . . . . 0.0 109.89 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.6 m -71.76 -37.33 70.54 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.065 -1.022 . . . . 0.0 109.19 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.66 ' OE1' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -56.64 -48.25 77.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.242 -0.911 . . . . 0.0 108.904 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.4 m-85 -64.0 -50.27 69.18 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.571 -0.706 . . . . 0.0 110.209 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.34 -13.51 62.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 109.826 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.498 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 52.2 t80 -80.55 -34.76 35.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.106 -0.996 . . . . 0.0 109.714 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.862 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -71.8 -35.48 69.99 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 120.795 -1.191 . . . . 0.0 108.509 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.659 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.66 -52.48 65.26 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.203 -0.935 . . . . 0.0 108.843 179.426 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' SG ' HD23 ' A' ' 14' ' ' LEU . 13.7 p -53.92 -38.8 65.24 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.299 -0.875 . . . . 0.0 109.946 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 12.3 mt -77.57 -41.58 38.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.131 -0.981 . . . . 0.0 110.239 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 39' ' ' ALA . 92.6 t -53.22 -19.29 2.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 O-C-N 121.039 -1.038 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.659 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 47.0 mtm180 -113.74 27.78 9.28 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.796 -0.565 . . . . 0.0 109.617 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -88.78 167.06 13.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.999 -1.063 . . . . 0.0 109.389 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -81.57 -10.85 59.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.309 -0.869 . . . . 0.0 109.406 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -97.03 138.21 34.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 18.4 p-10 -70.97 -48.6 52.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.214 -0.929 . . . . 0.0 109.872 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -51.44 -27.55 10.59 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.048 -1.033 . . . . 0.0 110.188 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.41 -29.68 70.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.076 -1.015 . . . . 0.0 108.638 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.0 mt -79.78 -41.84 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 108.871 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' O ' HG23 ' A' ' 56' ' ' VAL . 62.1 ttt180 -54.74 -26.07 31.74 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' NZ ' HD11 ' A' ' 57' ' ' LEU . 11.7 ttpp -87.49 -45.88 10.1 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.325 -0.859 . . . . 0.0 108.788 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.34 -31.1 72.81 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.4 mt -73.64 -43.47 54.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.213 -1.169 . . . . 0.0 108.802 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ARG . 71.5 t -65.79 -46.54 88.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.66 HD22 ' OE1' ' A' ' 35' ' ' GLN . 30.5 mt -49.44 -45.77 46.94 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.727 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.52 -42.0 68.51 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.943 -1.098 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -53.7 -35.19 60.87 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.052 -1.03 . . . . 0.0 110.056 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -73.82 -35.31 64.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.104 -0.997 . . . . 0.0 110.359 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.406 HD11 HE21 ' A' ' 35' ' ' GLN . 17.4 mt -76.93 -29.32 55.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.144 -0.973 . . . . 0.0 110.938 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 mp -51.11 -55.81 25.18 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 120.816 -1.178 . . . . 0.0 111.076 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.2 Cg_exo -53.03 -27.17 35.08 Favored 'Trans proline' 0 C--N 1.323 -0.796 0 C-N-CA 120.514 0.809 . . . . 0.0 110.319 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -99.14 29.87 3.7 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.171 -0.956 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.38 152.7 19.25 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 40.7 t -70.1 -171.22 0.42 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -1.149 . . . . 0.0 109.262 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -74.25 -39.15 63.22 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.977 -1.077 . . . . 0.0 109.438 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -71.32 -45.98 61.73 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.312 -0.868 . . . . 0.0 108.79 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -58.46 -34.69 71.14 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.461 -0.775 . . . . 0.0 109.083 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 66' ' ' SER . 37.6 mt-30 -66.36 -45.73 79.15 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.92 . . . . 0.0 109.382 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.589 ' CG ' HH11 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -52.92 -29.89 31.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.168 -0.958 . . . . 0.0 109.261 -179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.51 -52.75 8.55 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.94 -1.1 . . . . 0.0 109.567 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 4.3 m-85 -60.58 -32.74 71.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 108.768 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 70' ' ' GLN . 24.6 t -60.62 -39.5 81.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.48 -45.92 87.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.768 -0.582 . . . . 0.0 110.327 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -67.72 -37.27 81.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.756 -1.215 . . . . 0.0 110.056 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.91 -44.98 96.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.127 -0.983 . . . . 0.0 109.594 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.24 69.44 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.154 -0.966 . . . . 0.0 109.256 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.4 t -75.68 -40.24 40.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.283 -0.885 . . . . 0.0 109.857 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.93 -40.45 89.07 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 81' ' ' ASN . 0.9 OUTLIER -69.52 -27.22 64.99 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.287 -1.125 . . . . 0.0 109.572 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.4 t80 -70.65 -30.11 66.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.295 -0.878 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 85' ' ' LYS . 46.9 mtp180 -72.69 -43.96 62.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.137 -0.977 . . . . 0.0 109.961 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.3 mt -71.42 30.33 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.062 -1.024 . . . . 0.0 109.931 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.0 mmtm 55.06 4.75 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.141 -0.974 . . . . 0.0 109.736 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 84' ' ' LEU . 18.4 tp10 -80.71 90.05 5.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.158 -0.964 . . . . 0.0 108.985 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -84.54 -36.56 22.08 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.341 -0.849 . . . . 0.0 110.054 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -60.22 -51.23 70.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.174 -0.954 . . . . 0.0 110.151 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -69.51 -39.56 77.48 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.076 -1.015 . . . . 0.0 109.73 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.5 89.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.999 -1.063 . . . . 0.0 109.423 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.585 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.3 mp -71.61 -19.66 62.09 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.255 -0.903 . . . . 0.0 109.09 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -75.1 -36.84 61.65 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.872 -1.143 . . . . 0.0 108.273 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -75.65 -40.03 56.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.554 -0.716 . . . . 0.0 109.468 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.47 -31.75 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.376 -0.827 . . . . 0.0 110.942 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -72.26 -48.81 39.73 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.531 -1.356 . . . . 0.0 110.133 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.52 -28.97 73.62 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 12.5 tp -57.42 -44.01 84.3 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.637 -0.919 . . . . 0.0 108.696 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.55 -36.19 68.2 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.931 -1.106 . . . . 0.0 110.31 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -49.56 -30.65 8.92 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 74.2 p -77.59 -48.21 17.46 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.744 0.783 . . . . 0.0 108.91 178.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -134.63 78.48 55.84 Favored Pre-proline 0 N--CA 1.496 1.854 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -58.1 -13.96 17.49 Favored 'Trans proline' 0 C--N 1.318 -1.079 0 C-N-CA 121.203 1.269 . . . . 0.0 109.671 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -83.36 1.2 42.47 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.326 -0.859 . . . . 0.0 109.792 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -79.63 105.4 10.9 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.22 -37.71 63.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.151 -0.968 . . . . 0.0 109.888 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -56.92 -30.4 63.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.723 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.39 -29.58 47.38 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -73.01 -50.91 20.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.318 -0.864 . . . . 0.0 109.778 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.83 -32.44 67.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.317 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.03 -42.01 94.76 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.111 -0.993 . . . . 0.0 109.123 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.51 -29.27 70.56 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.165 -0.959 . . . . 0.0 109.402 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -64.81 -43.02 94.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.185 -0.947 . . . . 0.0 109.598 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.33 -43.64 83.55 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.215 -0.928 . . . . 0.0 109.047 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.585 HG21 ' CD1' ' A' ' 91' ' ' LEU . 62.7 mt -71.41 -50.17 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.433 -0.792 . . . . 0.0 109.599 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.58 -46.17 73.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.91 -43.84 81.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.129 -0.982 . . . . 0.0 109.805 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 121' ' ' ASP . . . -57.46 -49.36 76.52 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.04 -1.037 . . . . 0.0 108.516 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.7 mmt -46.64 -47.11 20.19 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.473 -0.767 . . . . 0.0 110.389 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 3.5 mptp? -72.23 -56.77 4.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.549 -1.345 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' A' ' 122' ' ' GLY . 43.2 mttm -67.76 7.68 0.48 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.138 -0.976 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 119' ' ' LYS . 29.4 t70 -64.59 2.41 0.66 Allowed 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.212 -0.93 . . . . 0.0 109.456 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 127.43 -27.51 4.71 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.07 113.45 9.12 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.312 -1.111 . . . . 0.0 109.453 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.493 ' O ' ' SD ' ' A' ' 126' ' ' MET . 21.8 t -88.52 149.87 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.322 -0.861 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -72.39 96.67 0.73 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 124' ' ' VAL . 2.5 mpt? -60.33 162.41 6.14 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.285 -1.127 . . . . 0.0 109.1 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.36 130.09 44.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.108 -0.995 . . . . 0.0 109.472 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 9.1 tt -150.51 16.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 122.766 1.27 . . . . 0.0 108.63 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.45 83.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.537 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 50.9 38.18 37.3 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -65.99 -147.75 0.07 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 132' ' ' MET . 4.5 mpp? -67.58 164.91 18.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.24 -1.153 . . . . 0.0 109.459 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -169.9 124.69 0.78 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.191 -0.943 . . . . 0.0 109.493 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.34 131.47 42.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.463 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 137' ' ' ALA . . . -68.59 81.36 0.22 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.4 m -74.59 34.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -1.135 . . . . 0.0 109.344 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 135' ' ' GLY . . . -170.96 55.77 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.33 -0.856 . . . . 0.0 109.451 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -79.2 28.36 2.28 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -72.77 51.12 0.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -1.142 . . . . 0.0 109.039 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.16 -21.01 64.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.224 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 67.23 65.89 2.58 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.1 mt -132.78 -79.27 0.49 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.504 -0.998 . . . . 0.0 109.124 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.464 ' C ' HD12 ' A' ' 143' ' ' ILE . 1.1 pp -149.87 22.35 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.222 -0.924 . . . . 0.0 109.051 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 146' ' ' GLU . . . 72.86 115.43 0.06 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 145' ' ' LEU . 7.1 mp -72.29 7.57 1.7 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.293 -1.122 . . . . 0.0 109.185 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 144' ' ' GLY . 12.5 pt-20 -172.07 0.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.42 -0.8 . . . . 0.0 109.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 148' ' ' HIS . 70.6 m80 52.56 -111.17 0.57 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.439 -0.788 . . . . 0.0 109.572 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 147' ' ' HIS . 1.3 t60 58.18 157.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.386 -0.821 . . . . 0.0 109.604 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -171.7 -81.27 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.147 -0.97 . . . . 0.0 109.492 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -168.96 110.49 0.5 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.232 -0.917 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.618 ' NE2' ' CD2' ' A' ' 152' ' ' HIS . 40.5 p-80 -64.07 -44.61 91.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.175 -0.953 . . . . 0.0 109.708 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.618 ' CD2' ' NE2' ' A' ' 151' ' ' HIS . 88.5 m-70 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.579 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.2 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -53.43 168.89 0.14 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.189 -0.944 . . . . 0.0 109.348 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.9 154.21 3.47 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.207 -0.933 . . . . 0.0 109.548 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t 48.46 81.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.288 -0.883 . . . . 0.0 109.693 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.1 mp -82.92 63.97 7.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 109.22 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 49.51 26.93 1.86 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.411 -0.806 . . . . 0.0 109.64 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -166.39 50.83 0.08 Allowed 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.156 -0.965 . . . . 0.0 109.609 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.8 mt 46.19 -115.15 0.54 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.239 -0.913 . . . . 0.0 109.873 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.445 ' H ' HG23 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -63.01 153.62 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.108 -0.995 . . . . 0.0 109.32 -179.676 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.6 p -81.16 133.41 35.45 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.365 -0.834 . . . . 0.0 109.221 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -50.41 -23.19 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.286 -0.884 . . . . 0.0 108.763 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 45.8 mt-10 -70.01 -37.73 75.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.286 -0.884 . . . . 0.0 109.228 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.492 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 7.0 t70 -76.74 -49.44 15.99 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.719 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -56.92 -47.21 81.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.877 -1.139 . . . . 0.0 110.186 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.64 -40.53 48.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.99 -1.069 . . . . 0.0 110.329 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 33.4 ttpt -50.86 -53.39 32.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.762 -1.211 . . . . 0.0 108.92 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -65.19 -28.45 69.4 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.063 -1.023 . . . . 0.0 108.65 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.67 -35.2 65.18 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.214 -0.929 . . . . 0.0 108.574 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -54.29 -41.05 68.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -65.36 -42.2 93.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.314 -0.866 . . . . 0.0 108.876 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -51.06 -44.4 61.12 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.463 -0.773 . . . . 0.0 109.404 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -72.8 -51.43 19.0 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.216 -0.927 . . . . 0.0 110.096 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.3 p -64.31 -38.32 90.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.776 -1.202 . . . . 0.0 109.787 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 29' ' ' SER . 48.7 mm-40 -61.48 -50.76 71.46 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.252 -0.905 . . . . 0.0 109.995 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -64.15 -34.35 77.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.96 -1.088 . . . . 0.0 108.582 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.08 78.98 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 -16.3 45.87 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.74 15.04 54.16 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 24' ' ' GLU . 70.2 m -153.57 156.53 38.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.285 -1.127 . . . . 0.0 109.976 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.5 t -138.17 123.69 24.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.426 -0.797 . . . . 0.0 109.473 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.3 m -79.65 142.25 35.73 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.492 -0.755 . . . . 0.0 109.467 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -56.78 -19.24 16.04 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.42 -0.8 . . . . 0.0 109.186 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.433 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 96.3 p -66.23 -45.24 81.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 110.28 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 m -64.42 -49.43 71.57 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.959 -1.088 . . . . 0.0 110.162 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.587 ' OE1' HD21 ' A' ' 61' ' ' LEU . 84.6 mt-30 -55.59 -50.77 69.23 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.951 -1.093 . . . . 0.0 109.638 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.69 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -58.62 -49.04 78.93 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.396 -0.815 . . . . 0.0 110.765 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -70.64 -30.76 67.47 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.127 -0.983 . . . . 0.0 110.76 -178.554 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 42' ' ' LEU . 31.8 t80 -84.7 -22.63 29.69 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.197 -0.939 . . . . 0.0 109.995 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.13 16.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.095 -1.003 . . . . 0.0 110.206 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -59.22 -34.67 72.46 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.553 -1.342 . . . . 0.0 108.204 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -57.93 -40.31 80.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.211 -0.931 . . . . 0.0 110.819 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 38' ' ' TYR . 16.9 mt -72.27 -57.1 4.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.837 -1.164 . . . . 0.0 111.202 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.8 m -53.45 -16.82 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.087 -1.008 . . . . 0.0 110.558 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -93.07 25.68 3.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.815 -1.178 . . . . 0.0 109.863 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -119.05 163.15 17.41 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.268 -0.895 . . . . 0.0 109.06 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -85.44 -5.95 59.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.208 -0.932 . . . . 0.0 110.686 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 3.3 m-85 -80.78 110.53 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.782 -1.199 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.695 HD21 ' NE ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -49.34 -48.5 46.54 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.924 -1.11 . . . . 0.0 110.1 -179.147 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 2.6 p30 -50.68 -31.9 17.69 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.029 -1.044 . . . . 0.0 111.187 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 51' ' ' ILE . 1.9 p30 -73.92 -31.62 63.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.712 -1.243 . . . . 0.0 109.655 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 7.0 mt -76.2 -50.32 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.133 -0.979 . . . . 0.0 109.66 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.695 ' NE ' HD21 ' A' ' 48' ' ' ASN . 3.3 mtt-85 -53.56 -54.97 29.83 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -64.43 -35.09 79.78 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.87 -38.14 88.92 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.55 -38.57 81.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 120.826 -1.396 . . . . 0.0 109.128 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' ARG . 94.1 t -60.24 -45.03 96.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.3 mt -50.34 -46.17 55.49 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.702 -0.624 . . . . 0.0 109.578 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -69.93 -47.08 63.82 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.645 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -53.79 -44.79 70.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.159 -0.963 . . . . 0.0 110.104 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -61.08 -31.56 71.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.152 -0.968 . . . . 0.0 110.032 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.587 HD21 ' OE1' ' A' ' 35' ' ' GLN . 96.0 mt -76.57 -28.91 56.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.214 -0.928 . . . . 0.0 111.584 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.54 -54.48 38.85 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.785 -1.197 . . . . 0.0 111.359 -177.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.8 Cg_exo -53.47 -21.03 17.25 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 120.412 0.741 . . . . 0.0 110.374 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -114.73 12.07 16.99 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.362 -0.836 . . . . 0.0 110.56 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.54 149.59 19.43 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.413 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 5.2 m -68.47 -167.61 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.942 -1.328 . . . . 0.0 108.524 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.59 -47.0 28.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.642 -1.286 . . . . 0.0 109.075 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 20.1 mp0 -64.46 -35.92 82.51 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.353 -0.842 . . . . 0.0 109.358 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 66' ' ' SER . 50.3 mt-10 -66.79 -34.18 77.25 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.179 -0.951 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -59.41 -45.58 91.12 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 108.948 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -61.6 -29.01 69.76 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.153 -0.967 . . . . 0.0 108.425 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.6 m-20 -78.79 -47.5 16.61 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.14 -0.975 . . . . 0.0 108.837 178.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.69 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.7 m-85 -53.02 -42.65 65.87 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -61.12 -36.0 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 109.002 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -59.39 -50.21 74.84 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.45 -0.781 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.88 -39.56 79.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.772 -1.205 . . . . 0.0 109.963 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 mt -59.37 -38.75 81.25 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.869 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.08 70.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.072 -1.017 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' CG1' ' NH2' ' A' ' 83' ' ' ARG . 95.7 t -76.05 -45.2 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.277 -0.89 . . . . 0.0 109.782 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.81 -40.49 93.73 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' N ' HD22 ' A' ' 81' ' ' ASN . 1.2 m-80 -69.26 -28.6 66.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -1.128 . . . . 0.0 109.751 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -69.76 -30.18 67.7 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.221 -0.924 . . . . 0.0 109.379 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.557 HH11 ' CG ' ' A' ' 83' ' ' ARG . 4.0 mtt-85 -71.93 -43.07 65.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.246 -0.909 . . . . 0.0 109.712 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 86' ' ' GLU . 61.3 mt -65.65 17.68 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.115 -0.991 . . . . 0.0 110.567 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.541 ' H ' ' C ' ' A' ' 83' ' ' ARG . 18.6 tptt 68.46 -5.49 0.93 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.864 -1.148 . . . . 0.0 109.291 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 84' ' ' LEU . 14.5 mm-40 -75.28 95.04 3.1 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.227 -0.921 . . . . 0.0 109.664 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -85.31 -31.67 22.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.488 -0.758 . . . . 0.0 109.674 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -65.42 -41.84 93.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.18 -0.95 . . . . 0.0 109.953 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.457 ' N ' ' CD ' ' A' ' 89' ' ' LYS . 12.1 mptt -76.53 -47.29 23.13 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.91 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.27 69.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.109 -0.995 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.3 mp -57.15 -54.6 44.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.771 -1.206 . . . . 0.0 108.138 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -45.07 -33.41 2.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.639 -0.663 . . . . 0.0 109.319 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -76.9 -47.3 21.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 108.833 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.58 -28.95 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.836 . . . . 0.0 109.826 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 HH12 ' CG ' ' A' ' 111' ' ' GLU . 2.8 mpt_? -64.67 -47.39 78.6 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.59 -1.319 . . . . 0.0 108.756 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.96 -27.6 73.63 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 100' ' ' THR . 41.9 tp -61.04 -37.6 83.19 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.293 -1.122 . . . . 0.0 108.874 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 86.7 mt -76.7 -35.43 57.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.84 -1.162 . . . . 0.0 109.623 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -52.14 -27.91 16.04 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 30.0 p -88.96 -45.99 9.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.61 0.719 . . . . 0.0 109.149 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -132.71 77.34 69.35 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.933 -0.479 . . . . 0.0 109.973 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -64.18 -17.77 60.97 Favored 'Trans proline' 0 C--N 1.317 -1.126 0 C-N-CA 121.257 1.305 . . . . 0.0 109.545 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -81.53 -3.2 52.53 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.298 -0.876 . . . . 0.0 109.706 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -76.03 105.36 7.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.09 -1.006 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -73.45 -38.94 65.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.31 -0.869 . . . . 0.0 109.708 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -56.64 -34.68 67.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.165 -0.959 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -69.41 -34.58 74.7 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.335 -0.853 . . . . 0.0 109.282 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.04 -36.44 77.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.225 -0.922 . . . . 0.0 109.078 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.53 -53.95 52.34 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.916 0.865 . . . . 0.0 108.997 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 25.9 tp -51.11 -39.58 56.5 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 115' ' ' ASP . 6.4 tm-20 -63.86 -30.78 71.83 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.159 -0.963 . . . . 0.0 109.446 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -72.13 -43.63 64.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.186 -0.946 . . . . 0.0 109.61 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.6 mt -57.66 -47.08 83.27 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 109.056 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.504 HG21 ' CD1' ' A' ' 91' ' ' LEU . 56.3 mt -68.94 -52.46 34.17 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.61 -0.681 . . . . 0.0 109.679 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 111' ' ' GLU . 0.9 OUTLIER -57.33 -45.22 84.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.289 -0.882 . . . . 0.0 109.822 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -54.85 -35.24 63.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.181 -0.949 . . . . 0.0 109.716 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.33 59.78 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtp -49.51 -48.57 47.95 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.635 -0.665 . . . . 0.0 110.829 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.5 mptm? -66.73 -30.03 70.16 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.453 -1.404 . . . . 0.0 109.396 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' HB2' ' HZ2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -56.23 -60.01 4.12 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -81.79 59.6 4.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -0.911 . . . . 0.0 109.613 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 124' ' ' VAL . . . -76.11 85.45 0.9 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 22.3 mt -80.84 26.36 0.41 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.299 -1.118 . . . . 0.0 109.231 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.471 ' H ' ' C ' ' A' ' 122' ' ' GLY . 39.6 t -149.94 154.4 9.18 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -53.52 -22.75 17.45 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.8 mmt 46.45 -124.98 1.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.254 -1.145 . . . . 0.0 109.159 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.69 130.31 35.1 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.087 -1.008 . . . . 0.0 108.885 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.4 mt -100.11 145.82 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.401 -0.812 . . . . 0.0 109.353 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 23.9 t -147.12 90.48 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.352 -0.843 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 179.02 -69.83 0.07 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -66.15 -145.81 0.06 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 28.1 mtt 52.59 -157.73 0.14 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -1.119 . . . . 0.0 109.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -169.32 160.86 9.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 0.0 109.454 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.8 mt -132.63 79.49 1.85 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.439 -0.788 . . . . 0.0 109.218 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 137' ' ' ALA . . . -69.98 86.64 0.3 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.3 t -67.9 65.42 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.265 -1.138 . . . . 0.0 109.559 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 135' ' ' GLY . . . -76.31 -76.54 0.16 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.224 -0.922 . . . . 0.0 109.331 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.98 -31.99 1.29 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.442 ' H ' ' C ' ' A' ' 137' ' ' ALA . 14.6 mt -78.91 -138.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -1.15 . . . . 0.0 109.438 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -89.48 -59.21 2.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.264 -0.898 . . . . 0.0 109.418 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 77.21 -94.67 1.14 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.4 mt 56.14 52.03 10.96 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.213 -1.169 . . . . 0.0 109.467 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.421 ' H ' ' H ' ' A' ' 144' ' ' GLY . 4.4 tp -165.12 -18.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.293 -0.879 . . . . 0.0 109.14 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 146' ' ' GLU . . . 64.38 168.52 1.58 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 13.9 mt -74.95 15.97 0.34 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -1.153 . . . . 0.0 109.53 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 148' ' ' HIS . 12.2 mm-40 52.11 27.03 4.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.219 -0.926 . . . . 0.0 109.477 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 149' ' ' HIS . 0.3 OUTLIER -73.18 13.45 0.42 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.25 -0.907 . . . . 0.0 109.434 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 19.7 t-160 -66.12 73.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 109.396 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 148' ' ' HIS . 78.9 m80 -157.4 -172.19 3.89 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -169.12 85.61 0.15 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.234 -0.917 . . . . 0.0 109.499 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 11.9 t-80 -169.24 109.28 0.45 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 109.531 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 97.0 m-70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.417 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.1 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -153.01 -16.0 0.15 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.28 -0.887 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.25 151.11 2.51 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.379 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 t -94.29 89.63 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.248 -0.907 . . . . 0.0 109.523 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -83.6 48.98 1.5 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.25 -0.907 . . . . 0.0 109.355 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -156.57 154.2 29.87 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.392 -0.817 . . . . 0.0 109.454 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' CD ' ' N ' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -67.1 -177.09 0.6 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.292 -0.88 . . . . 0.0 109.612 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -70.31 -114.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.304 -0.873 . . . . 0.0 109.387 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 t -70.71 124.61 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.147 -0.971 . . . . 0.0 109.538 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -68.43 135.11 51.2 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.21 -0.932 . . . . 0.0 109.082 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.84 -23.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.275 -0.891 . . . . 0.0 108.759 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 44.9 mt-10 -69.61 -44.93 69.71 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.372 -0.83 . . . . 0.0 109.088 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.08 -48.31 71.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 110.494 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.28 -46.08 90.4 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.954 -1.091 . . . . 0.0 110.002 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.0 mt -76.71 -37.5 55.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.86 -1.15 . . . . 0.0 109.871 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.8 ttpt -52.52 -53.31 47.75 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.795 -1.191 . . . . 0.0 108.599 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 34.9 m-85 -65.53 -28.27 69.05 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.249 -0.907 . . . . 0.0 108.702 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -71.77 -36.19 70.28 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -55.25 -41.96 72.84 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -71.74 -42.19 67.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' CE2' ' CE ' ' A' ' 25' ' ' LYS . 38.7 t80 -52.41 -48.35 65.76 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.65 -49.93 35.34 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.566 -0.709 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.1 p -58.97 -39.04 80.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.839 -1.163 . . . . 0.0 109.589 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' CD ' ' HG1' ' A' ' 34' ' ' THR . 38.5 mt-10 -58.81 -50.84 72.47 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.34 -0.85 . . . . 0.0 110.371 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' CE ' ' CE2' ' A' ' 21' ' ' PHE . 8.0 mttt -57.05 -37.53 71.92 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.593 -1.317 . . . . 0.0 108.567 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.14 -44.53 79.32 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.7 -17.04 19.34 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.94 56.48 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -156.83 153.53 28.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.29 -1.123 . . . . 0.0 110.027 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.4 t -134.21 125.37 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 121.479 -0.763 . . . . 0.0 109.295 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.0 m -80.44 141.78 34.93 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.438 -0.789 . . . . 0.0 109.544 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 61' ' ' LEU . 18.8 ttpp -57.11 -18.71 15.94 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.443 -0.786 . . . . 0.0 109.153 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 53.6 m -64.43 -48.09 76.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.378 -0.826 . . . . 0.0 110.212 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.509 ' HG1' ' CD ' ' A' ' 24' ' ' GLU . 6.7 m -64.29 -48.93 73.79 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.004 -1.06 . . . . 0.0 110.017 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -51.97 -49.77 62.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.891 -1.131 . . . . 0.0 109.033 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.692 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -59.7 -48.99 79.49 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.47 -0.769 . . . . 0.0 110.666 -179.578 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.4 OUTLIER -70.93 -29.87 66.04 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.17 -0.956 . . . . 0.0 110.823 -178.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 42' ' ' LEU . 49.6 t80 -83.46 -26.78 29.99 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.227 -0.921 . . . . 0.0 110.285 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.91 -51.51 18.29 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.927 -1.108 . . . . 0.0 110.331 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 13.7 p-90 -57.81 -33.99 69.16 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.389 -1.444 . . . . 0.0 108.001 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 88.1 m -57.38 -35.79 70.45 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.155 -0.965 . . . . 0.0 109.676 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 38' ' ' TYR . 15.4 mt -79.76 -58.56 3.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.969 -1.082 . . . . 0.0 111.942 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 2.8 m -54.56 -17.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.682 -1.261 . . . . 0.0 109.681 -178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -93.27 16.04 14.1 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.947 -1.096 . . . . 0.0 109.128 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.52 ' O ' ' NH2' ' A' ' 83' ' ' ARG . 6.7 p -101.24 167.91 9.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.193 -0.942 . . . . 0.0 109.56 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -90.95 -3.87 56.94 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.645 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.57 136.11 33.92 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.121 -0.987 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.459 ' OD1' HD21 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.72 -50.38 36.86 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.178 -0.951 . . . . 0.0 110.037 -179.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -51.25 -27.73 9.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.059 -1.025 . . . . 0.0 110.387 -178.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.89 -29.95 62.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.975 -1.078 . . . . 0.0 109.574 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 mt -78.02 -48.84 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 120.91 -1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG23 ' A' ' 56' ' ' VAL . 94.0 mtt180 -54.17 -55.49 27.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -67.13 -36.82 82.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.52 -36.62 93.61 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.2 mt -69.49 -40.79 80.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 O-C-N 120.963 -1.316 . . . . 0.0 109.105 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 52' ' ' ARG . 95.5 t -57.83 -45.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -49.74 -50.04 45.78 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.837 -0.539 . . . . 0.0 109.707 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 76.3 mt -68.19 -45.8 72.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.921 -1.112 . . . . 0.0 109.778 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -55.7 -48.9 74.35 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.033 -1.042 . . . . 0.0 109.968 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -54.94 -32.13 61.06 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.239 -0.913 . . . . 0.0 110.158 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD22 ' HG3' ' A' ' 32' ' ' LYS . 96.0 mt -76.91 -27.93 55.11 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.181 -0.949 . . . . 0.0 111.633 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -51.83 -54.1 43.92 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.75 -1.219 . . . . 0.0 111.467 -177.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.9 Cg_exo -56.5 -25.57 59.01 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 120.458 0.772 . . . . 0.0 110.217 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -103.45 1.05 31.97 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.189 -0.944 . . . . 0.0 110.501 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.79 151.01 20.97 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 t -67.39 -168.14 0.08 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.11 -1.23 . . . . 0.0 108.567 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.09 -47.12 25.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.678 -1.264 . . . . 0.0 109.179 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -60.12 -49.85 76.03 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.201 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -57.63 -30.37 65.31 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -55.58 -44.45 76.9 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -65.09 -29.86 70.76 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.508 -0.745 . . . . 0.0 109.369 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -74.64 -48.28 27.2 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.113 -0.992 . . . . 0.0 109.114 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.692 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 36.8 m-85 -53.03 -38.74 62.66 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.96 -36.01 71.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.489 -0.757 . . . . 0.0 108.984 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -61.84 -50.76 70.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.586 -0.696 . . . . 0.0 110.453 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -68.33 -37.75 80.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.815 -1.178 . . . . 0.0 110.096 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.13 -45.56 92.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.08 -1.012 . . . . 0.0 110.251 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.47 71.95 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.958 -1.089 . . . . 0.0 109.202 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -76.35 -39.24 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.236 -0.915 . . . . 0.0 109.807 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.95 -43.55 57.63 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.57 -30.22 61.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.012 -1.287 . . . . 0.0 109.521 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.3 -45.87 90.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 109.404 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 12.3 ptm180 -75.07 -37.14 61.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.048 -1.032 . . . . 0.0 110.247 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -64.4 35.66 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.982 -1.074 . . . . 0.0 110.375 -178.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 73.8 tttt 65.56 -41.13 0.32 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.088 -1.007 . . . . 0.0 110.133 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' LEU . 7.6 mm-40 -53.01 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.99 -1.069 . . . . 0.0 108.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' LYS . 62.9 m-85 -84.98 -40.94 16.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.341 -0.849 . . . . 0.0 110.732 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -70.57 -41.27 72.63 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.242 -0.911 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' NZ ' ' OE2' ' A' ' 86' ' ' GLU . 37.4 mttp -54.35 -48.98 70.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.825 -1.172 . . . . 0.0 109.271 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.34 66.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.248 -0.907 . . . . 0.0 109.136 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 91' ' ' LEU . 13.9 tp -70.34 -24.64 63.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.459 -0.775 . . . . 0.0 109.213 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.98 -34.01 44.56 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -74.21 -48.43 29.03 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.677 -0.639 . . . . 0.0 109.408 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.04 -29.75 48.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.388 -0.82 . . . . 0.0 109.843 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 15.7 mmm180 -70.82 -48.11 55.82 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.964 -1.085 . . . . 0.0 109.934 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.99 -28.06 73.36 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.5 ' O ' ' OG1' ' A' ' 100' ' ' THR . 15.8 tp -59.63 -39.35 84.03 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.718 -0.872 . . . . 0.0 108.792 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' ALA . 80.3 mt -77.0 -37.6 54.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.92 -1.113 . . . . 0.0 109.887 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -51.31 -26.24 7.18 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 23.0 p -89.49 -43.94 10.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 103' ' ' GLN . 58.9 mm-40 -130.67 76.19 77.7 Favored Pre-proline 0 N--CA 1.501 2.08 0 O-C-N 122.037 -0.414 . . . . 0.0 110.38 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -66.64 42.67 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.036 0 C-N-CA 121.473 1.449 . . . . 0.0 109.484 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.51 ' H ' ' C ' ' A' ' 101' ' ' GLU . 36.7 mt-30 -141.4 -7.45 1.01 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.288 -0.882 . . . . 0.0 109.721 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -75.36 99.66 4.19 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.688 ' H ' HD22 ' A' ' 105' ' ' ASN . 1.8 m-80 -61.86 -40.82 96.68 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.885 . . . . 0.0 109.811 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.68 -28.95 61.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.212 -0.93 . . . . 0.0 109.441 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.689 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -78.36 -32.01 48.82 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.123 -0.986 . . . . 0.0 109.24 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.16 -50.38 22.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.317 -0.864 . . . . 0.0 109.772 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.73 -30.11 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.021 -1.049 . . . . 0.0 109.18 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.12 -43.49 98.25 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.21 -0.931 . . . . 0.0 108.76 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -53.06 -43.25 66.54 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.112 -0.992 . . . . 0.0 108.729 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.11 -51.8 63.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.56 -52.83 63.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.21 -0.931 . . . . 0.0 109.335 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.5 mt -57.95 -49.8 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.393 -0.817 . . . . 0.0 110.009 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -69.37 -39.4 78.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.355 -0.841 . . . . 0.0 110.642 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.4 -43.13 91.59 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.993 -1.067 . . . . 0.0 110.795 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.27 70.15 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.623 -1.298 . . . . 0.0 108.736 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 21.1 mtm -49.21 -46.81 46.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.312 -0.868 . . . . 0.0 110.162 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.34 -15.53 61.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.619 -1.301 . . . . 0.0 109.117 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -99.41 25.79 6.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.402 -0.811 . . . . 0.0 109.364 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.404 ' H ' ' H ' ' A' ' 122' ' ' GLY . 7.6 p30 -171.64 6.31 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.12 -0.988 . . . . 0.0 109.574 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.404 ' H ' ' H ' ' A' ' 121' ' ' ASP . . . -86.08 99.63 2.42 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.1 mt -71.23 110.97 6.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.217 -1.167 . . . . 0.0 109.504 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 125' ' ' GLY . 27.4 t -101.93 160.36 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.551 -0.718 . . . . 0.0 109.113 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.447 ' N ' HG12 ' A' ' 124' ' ' VAL . . . -68.85 108.13 2.35 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.428 ' O ' ' O ' ' A' ' 125' ' ' GLY . 49.3 mtt -55.66 -168.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -1.119 . . . . 0.0 109.247 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 129.32 18.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.055 -1.028 . . . . 0.0 109.441 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 128' ' ' ILE . 3.4 mm -147.83 9.35 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 122.982 1.372 . . . . 0.0 107.879 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.49 ' CG2' ' H ' ' A' ' 133' ' ' ALA . 4.7 m -84.09 58.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.562 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 56.01 42.32 86.7 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 69.97 70.8 1.1 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 133' ' ' ALA . 27.2 ttt 51.55 83.03 0.06 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -1.149 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.49 ' H ' ' CG2' ' A' ' 129' ' ' VAL . . . 58.4 158.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.353 -0.842 . . . . 0.0 109.655 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 134' ' ' LEU . 0.8 OUTLIER -60.28 150.88 29.01 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.257 -0.902 . . . . 0.0 109.445 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.46 144.99 28.69 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.26 -19.77 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -1.14 . . . . 0.0 109.365 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . 47.2 21.38 0.18 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.857 . . . . 0.0 109.609 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.22 -47.28 1.96 Allowed Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' ALA . 14.3 mt -70.98 -133.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.288 -1.124 . . . . 0.0 109.402 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' LEU . . . 40.15 -133.25 0.25 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.583 -0.698 . . . . 0.0 110.579 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 78.38 35.61 32.82 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.9 mt -70.66 -144.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.216 -1.167 . . . . 0.0 109.415 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 14.5 pt -54.52 -28.85 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.229 -0.919 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 92.94 -32.47 5.61 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.3 mp -84.97 99.55 11.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.276 -1.132 . . . . 0.0 109.184 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 147' ' ' HIS . 36.4 tt0 51.69 88.36 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.286 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 146' ' ' GLU . 41.5 m170 -55.58 -104.29 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.898 . . . . 0.0 109.562 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -76.09 -168.58 0.95 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.253 -0.904 . . . . 0.0 109.515 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -168.71 -30.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.0 109.479 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.503 ' N ' ' ND1' ' A' ' 150' ' ' HIS . 0.1 OUTLIER -170.61 -18.52 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.236 -0.915 . . . . 0.0 109.408 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 151' ' ' HIS . 1.8 t60 -66.68 0.98 1.98 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.263 -0.898 . . . . 0.0 109.448 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 150' ' ' HIS . 26.8 t-80 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.97 -1.015 . . . . 0.0 109.455 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.2 ptm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 54.4 75.63 0.28 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.258 -0.901 . . . . 0.0 109.547 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.42 -160.62 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.531 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.8 108.37 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.385 -0.822 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' H ' HD12 ' A' ' 5' ' ' LEU . 5.2 mp -82.4 -165.12 0.95 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.249 -0.907 . . . . 0.0 109.409 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -143.33 136.69 28.16 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.199 -0.938 . . . . 0.0 109.328 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -65.55 157.73 28.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.22 -0.925 . . . . 0.0 109.513 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt -74.84 -35.57 62.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.555 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.1 t -149.88 133.57 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.397 -0.815 . . . . 0.0 109.507 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -72.29 133.88 45.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.199 -0.938 . . . . 0.0 108.909 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -48.46 -24.22 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.131 -0.981 . . . . 0.0 109.009 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.6 mm-40 -69.91 -45.25 67.96 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.308 -0.87 . . . . 0.0 109.739 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.85 -40.89 97.64 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.225 -0.922 . . . . 0.0 111.053 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.09 -41.39 61.75 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.764 -1.21 . . . . 0.0 110.136 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.6 mt -78.05 -38.6 44.08 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.657 -1.277 . . . . 0.0 109.585 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tmmm? -52.45 -46.71 66.58 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.078 -1.014 . . . . 0.0 108.929 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -75.54 -26.99 58.5 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.127 -0.983 . . . . 0.0 108.559 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -54.59 -46.33 73.76 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' CA ' ' OE2' ' A' ' 24' ' ' GLU . 26.7 mttp -60.23 -48.36 82.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -53.44 -39.68 64.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -51.32 19.56 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.186 -0.946 . . . . 0.0 110.388 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 12.1 m -63.23 -42.27 99.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.685 -1.26 . . . . 0.0 110.154 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -57.04 -48.1 79.33 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.175 -0.953 . . . . 0.0 109.863 -179.093 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -63.27 -34.57 77.96 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.841 -1.162 . . . . 0.0 108.895 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.94 -44.69 78.64 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.79 -14.92 24.62 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.39 16.39 55.46 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 60.0 m -154.63 157.62 38.46 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.318 -1.107 . . . . 0.0 109.867 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.23 123.86 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.359 -0.838 . . . . 0.0 109.652 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 t -75.26 152.08 38.31 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.614 0.721 . . . . 0.0 109.714 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -63.9 -18.29 64.05 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.593 -0.692 . . . . 0.0 109.784 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -68.55 -48.59 63.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 110.112 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 m -64.27 -43.61 94.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.172 -0.955 . . . . 0.0 109.926 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.05 -39.67 82.75 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.091 -1.006 . . . . 0.0 110.179 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 1.7 m-85 -69.43 -50.9 41.44 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.086 -1.009 . . . . 0.0 110.647 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -72.26 -16.29 61.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.892 -1.13 . . . . 0.0 110.045 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.465 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 57.1 t80 -79.66 -32.23 41.51 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.182 -0.949 . . . . 0.0 108.984 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.29 -37.3 69.03 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.263 -0.898 . . . . 0.0 108.837 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.95 -52.55 63.76 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.046 -1.034 . . . . 0.0 108.247 179.52 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.3 m -53.7 -39.37 65.11 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.442 -0.786 . . . . 0.0 109.99 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.465 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 18.1 mt -78.45 -41.04 33.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.094 -1.004 . . . . 0.0 110.526 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 39' ' ' ALA . 90.2 t -52.93 -20.08 2.17 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 O-C-N 121.078 -1.013 . . . . 0.0 109.44 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -120.49 33.28 5.65 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 2.5 t -87.74 174.01 8.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.084 -1.01 . . . . 0.0 109.488 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' N ' ' OG ' ' A' ' 45' ' ' SER . 46.1 mtpt -85.71 -10.98 54.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.352 -0.843 . . . . 0.0 109.44 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.2 140.54 34.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.296 -0.878 . . . . 0.0 109.425 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.518 ' C ' HD22 ' A' ' 48' ' ' ASN . 0.3 OUTLIER -71.33 -49.0 46.93 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.224 -0.922 . . . . 0.0 109.795 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -51.41 -26.23 7.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.049 -1.032 . . . . 0.0 110.221 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.6 -31.34 71.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.959 -1.088 . . . . 0.0 108.896 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.2 mt -79.05 -44.64 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.005 -1.059 . . . . 0.0 108.945 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' HG23 ' A' ' 56' ' ' VAL . 98.3 mtt180 -54.48 -31.09 55.09 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -82.02 -44.3 16.83 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.99 -37.73 94.89 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.6 mt -66.02 -41.98 90.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 O-C-N 120.957 -1.319 . . . . 0.0 109.105 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 52' ' ' ARG . 79.6 t -62.93 -47.81 91.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 57' ' ' LEU . 32.7 mt -49.53 -45.24 47.12 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.873 -0.517 . . . . 0.0 109.707 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.23 -45.77 54.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.958 -1.089 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -51.94 -43.51 63.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.146 -0.971 . . . . 0.0 110.213 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.62 -32.67 73.54 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.152 -0.968 . . . . 0.0 110.51 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 31.4 mt -76.7 -29.45 56.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.002 -1.062 . . . . 0.0 111.324 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.5 mp -50.78 -55.15 29.37 Favored Pre-proline 0 N--CA 1.486 1.359 0 O-C-N 120.664 -1.273 . . . . 0.0 111.077 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -54.51 -26.56 45.74 Favored 'Trans proline' 0 C--N 1.322 -0.853 0 N-CA-C 110.004 -0.806 . . . . 0.0 110.004 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -97.37 37.19 1.37 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.252 -0.905 . . . . 0.0 109.576 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -140.91 157.88 26.06 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -75.95 -170.27 1.32 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.17 -39.47 63.2 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.008 -1.058 . . . . 0.0 109.7 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 2.2 tm-20 -72.59 -46.5 53.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.188 -0.945 . . . . 0.0 108.588 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -56.3 -29.81 61.71 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -73.6 -38.2 65.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.3 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' CG ' HH11 ' A' ' 71' ' ' ARG . 3.0 mtt-85 -52.47 -37.44 57.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.181 -0.949 . . . . 0.0 109.796 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD2' ' CE1' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -76.15 -51.63 11.77 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.991 -1.068 . . . . 0.0 109.863 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.521 ' CE1' ' OD2' ' A' ' 72' ' ' ASP . 2.7 m-85 -55.95 -39.0 71.1 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.886 -1.134 . . . . 0.0 109.399 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.43 -36.43 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.089 -1.007 . . . . 0.0 108.732 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -58.5 -45.53 88.56 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.613 -0.68 . . . . 0.0 110.227 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -71.04 -35.98 72.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.857 -1.152 . . . . 0.0 110.106 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.28 -44.95 94.9 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.167 -0.958 . . . . 0.0 109.614 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.84 -34.08 75.31 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.083 -1.011 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.1 t -75.73 -37.87 36.51 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.46 -43.41 53.66 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -69.03 -28.51 66.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.23 -1.159 . . . . 0.0 109.471 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.8 t80 -70.44 -30.37 67.19 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.009 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -69.58 -41.45 75.8 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.543 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 86' ' ' GLU . 65.4 mt -71.51 33.66 0.05 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.145 -0.972 . . . . 0.0 109.761 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 83' ' ' ARG . 50.9 mtpt 51.62 8.16 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.866 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' LEU . 11.3 tp10 -84.94 96.09 9.25 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.12 -0.988 . . . . 0.0 109.092 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -85.77 -36.22 20.25 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.27 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.1 mp0 -64.25 -38.92 92.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 110.14 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -76.64 -49.1 17.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.191 -0.943 . . . . 0.0 110.294 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.14 -50.38 69.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.161 -0.962 . . . . 0.0 110.219 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.539 ' CD1' HG21 ' A' ' 114' ' ' ILE . 5.4 mp -54.89 -52.81 61.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 108.777 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -44.85 -35.83 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.618 -0.676 . . . . 0.0 109.467 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -75.93 -48.44 21.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.115 -0.99 . . . . 0.0 109.08 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -30.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -0.853 . . . . 0.0 109.788 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.465 ' NH1' ' CD ' ' A' ' 111' ' ' GLU . 3.1 mpt_? -60.72 -48.08 83.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.496 -1.378 . . . . 0.0 108.577 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.88 -28.92 73.99 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.499 ' O ' ' OG1' ' A' ' 100' ' ' THR . 63.8 tp -63.02 -35.72 81.15 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.168 -1.195 . . . . 0.0 109.084 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.74 -28.04 55.63 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.856 -1.153 . . . . 0.0 109.769 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -27.98 65.73 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 62.0 p -87.16 -51.18 6.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.622 -0.674 . . . . 0.0 109.672 179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -132.11 77.85 70.35 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.629 -0.669 . . . . 0.0 109.77 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -63.48 -20.49 69.89 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 121.396 1.397 . . . . 0.0 110.443 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -85.23 2.93 41.7 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.043 -1.036 . . . . 0.0 109.714 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -73.58 111.89 9.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.095 -1.003 . . . . 0.0 109.139 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -70.79 -39.67 72.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.802 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -56.23 -49.04 75.26 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.172 -0.955 . . . . 0.0 109.443 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.18 82.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.904 . . . . 0.0 109.348 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -58.4 -39.73 80.51 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.247 -0.908 . . . . 0.0 108.999 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.41 -51.61 69.16 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.349 -0.844 . . . . 0.0 109.199 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.72 -42.99 62.68 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.601 -0.687 . . . . 0.0 109.497 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' NH1' ' A' ' 95' ' ' ARG . 34.9 tt0 -61.35 -37.23 82.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -60.72 -47.26 87.09 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.314 -0.866 . . . . 0.0 109.726 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -57.64 -43.83 85.15 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.192 -0.942 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.539 HG21 ' CD1' ' A' ' 91' ' ' LEU . 52.1 mt -70.99 -52.0 31.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.368 -0.832 . . . . 0.0 109.451 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.88 -45.49 74.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.358 -0.839 . . . . 0.0 109.657 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -55.55 -51.9 65.53 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.085 -1.009 . . . . 0.0 109.409 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.76 -48.98 78.1 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 69.2 mtp -50.31 -47.52 55.65 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.603 -0.686 . . . . 0.0 110.764 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -76.91 -23.26 52.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.588 -1.32 . . . . 0.0 109.721 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -70.23 -76.22 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.541 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 121' ' ' ASP . 0.5 OUTLIER -85.54 43.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.233 -0.917 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -145.88 86.55 0.17 Allowed Glycine 0 N--CA 1.496 2.66 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.78 130.14 34.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 109.39 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 125' ' ' GLY . 43.5 t -147.93 159.2 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.422 -0.799 . . . . 0.0 109.258 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.455 ' N ' HG12 ' A' ' 124' ' ' VAL . . . 90.91 52.99 2.31 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.8 mmt -60.0 -100.82 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.128 -1.219 . . . . 0.0 108.738 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.62 133.92 42.11 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.192 -0.942 . . . . 0.0 108.705 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 129' ' ' VAL . 93.9 mt -129.93 160.37 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.492 -0.755 . . . . 0.0 109.208 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.491 ' N ' HG22 ' A' ' 128' ' ' ILE . 43.0 t -147.94 -40.04 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.228 -0.92 . . . . 0.0 109.38 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.73 -67.52 1.99 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.77 164.79 0.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.0 mpt? -72.48 132.23 43.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.234 -1.157 . . . . 0.0 109.414 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -80.28 23.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.192 0.996 . . . . 0.0 109.378 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.457 ' H ' ' C ' ' A' ' 132' ' ' MET . 24.4 mt -100.41 132.91 45.53 Favored 'General case' 0 C--N 1.286 -2.171 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.265 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.456 ' C ' ' H ' ' A' ' 137' ' ' ALA . . . 176.73 160.92 24.66 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.3 m -74.12 18.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.232 -1.158 . . . . 0.0 109.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 135' ' ' GLY . . . -170.45 173.53 5.55 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.265 -0.897 . . . . 0.0 109.516 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.554 ' O ' ' N ' ' A' ' 140' ' ' ALA . . . 85.66 -64.6 4.09 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.1 mm? 43.95 -89.78 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.548 -0.972 . . . . 0.0 109.989 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 138' ' ' GLY . . . -130.46 -148.92 0.38 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.55 -0.719 . . . . 0.0 109.267 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 143' ' ' ILE . . . -165.19 50.09 0.28 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 142' ' ' LEU . 3.4 mm? -78.02 17.39 0.6 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.2 -1.177 . . . . 0.0 109.092 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 145' ' ' LEU . 10.9 tp -169.98 -10.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.262 -0.899 . . . . 0.0 109.074 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -67.06 49.38 0.24 Allowed Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 143' ' ' ILE . 18.9 mt -82.65 104.21 12.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -1.175 . . . . 0.0 109.191 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 65.8 mm-40 -47.51 -75.84 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 109.733 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.526 ' O ' ' ND1' ' A' ' 148' ' ' HIS . 75.5 m-70 -159.18 139.46 12.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.461 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 147' ' ' HIS . 43.3 m80 -149.9 -29.81 0.23 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.218 -0.926 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.433 ' CD2' ' N ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -67.76 74.5 0.18 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.621 ' CG ' ' H ' ' A' ' 151' ' ' HIS . 11.2 p-80 -56.34 -69.42 0.15 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.244 -0.91 . . . . 0.0 109.486 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.621 ' H ' ' CG ' ' A' ' 150' ' ' HIS . 5.6 t60 -170.22 31.25 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.226 -0.921 . . . . 0.0 109.474 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.507 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.529 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -152.95 148.91 27.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.237 -0.914 . . . . 0.0 109.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.9 -178.89 0.35 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.242 -0.911 . . . . 0.0 109.468 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 4' ' ' VAL . 11.6 p -169.25 39.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.922 . . . . 0.0 109.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.3 mt 50.2 -162.17 0.06 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.132 -0.98 . . . . 0.0 109.452 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 7' ' ' GLU . 72.0 m-80 -157.53 122.31 4.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.239 -0.913 . . . . 0.0 109.641 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 6' ' ' ASN . 47.4 tt0 58.67 127.75 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.56 0.695 . . . . 0.0 110.394 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 9' ' ' VAL . 1.6 mp -53.08 108.84 0.36 Allowed 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.16 -0.963 . . . . 0.0 108.888 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' LEU . 4.7 t 58.77 119.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.482 -0.761 . . . . 0.0 110.354 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.3 p -69.04 138.55 54.53 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.261 -0.9 . . . . 0.0 108.689 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.76 -24.1 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.294 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -70.58 -47.16 61.61 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.088 -1.007 . . . . 0.0 109.092 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.97 -37.63 86.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.279 -0.888 . . . . 0.0 110.333 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -50.08 57.02 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.938 -1.101 . . . . 0.0 109.535 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.53 -27.51 61.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.983 -1.073 . . . . 0.0 109.385 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -51.85 -54.11 32.74 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.143 -0.973 . . . . 0.0 108.99 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -69.45 -25.66 64.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.137 -0.977 . . . . 0.0 108.753 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 18' ' ' GLU . 1.2 tm-20 -71.14 -35.43 71.69 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 178.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -55.28 -45.19 76.17 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.05 78.49 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.415 -0.803 . . . . 0.0 109.03 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -53.09 -35.35 59.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.389 -0.819 . . . . 0.0 109.561 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' CA ' HE21 ' A' ' 22' ' ' GLN . 0.0 OUTLIER -72.5 -50.73 23.82 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.305 -0.872 . . . . 0.0 109.611 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -56.22 -49.12 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.967 -1.083 . . . . 0.0 110.214 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 29' ' ' SER . 33.3 mt-10 -61.0 -50.19 74.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.871 -1.143 . . . . 0.0 108.405 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -58.56 -44.06 89.56 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.16 66.49 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 -13.11 62.12 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.54 13.81 54.63 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.843 -1.703 . . . . 0.0 108.843 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 1.2 p -149.38 134.77 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.425 -1.044 . . . . 0.0 109.007 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -117.49 122.72 70.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.552 -0.718 . . . . 0.0 109.433 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.443 ' O ' ' OG1' ' A' ' 34' ' ' THR . 6.9 t -65.75 157.47 30.16 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.408 -0.807 . . . . 0.0 110.538 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CB ' ' NZ ' ' A' ' 32' ' ' LYS . 6.4 ttpm? -72.11 -25.06 61.59 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 t -74.49 -32.66 62.62 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -0.756 . . . . 0.0 109.647 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 31' ' ' SER . 1.5 p -64.06 -50.7 67.36 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 108.805 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -58.32 -49.2 78.0 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 108.713 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.28 -53.9 52.87 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.519 -0.738 . . . . 0.0 111.35 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -75.17 -16.44 60.51 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.966 -1.084 . . . . 0.0 110.656 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.464 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 40.1 t80 -77.43 -35.13 54.32 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.794 -1.191 . . . . 0.0 109.214 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -72.8 -38.2 67.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.123 -0.986 . . . . 0.0 109.261 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.39 -47.32 76.05 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.58 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 49.7 m -55.47 -40.58 71.8 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.802 -0.562 . . . . 0.0 109.848 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 17.9 mt -77.59 -40.63 41.52 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.149 -0.969 . . . . 0.0 110.737 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 39' ' ' ALA . 47.7 t -53.92 -27.15 15.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 O-C-N 120.781 -1.199 . . . . 0.0 109.852 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -96.48 19.81 11.59 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.34 -0.85 . . . . 0.0 109.218 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.4 p -85.34 147.67 26.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.261 -0.899 . . . . 0.0 109.561 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -74.95 -4.58 38.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.239 -0.913 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.81 135.82 39.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.4 -0.812 . . . . 0.0 109.319 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -70.72 -41.71 71.52 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.351 -0.843 . . . . 0.0 110.398 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.02 -32.22 61.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.909 -1.119 . . . . 0.0 110.358 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.55 -31.61 62.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.016 -1.052 . . . . 0.0 109.121 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.4 mt -77.51 -48.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.018 -1.051 . . . . 0.0 108.379 178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.09 -43.89 64.13 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 178.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -70.56 -41.75 72.03 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.22 72.42 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.829 -1.309 . . . . 0.0 109.829 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.2 mt -69.8 -50.65 47.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.187 -1.184 . . . . 0.0 109.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.19 -47.81 55.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 57' ' ' LEU . 44.0 mt -50.32 -50.07 51.93 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.718 -0.613 . . . . 0.0 109.484 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -65.78 -46.51 78.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.958 -1.089 . . . . 0.0 109.408 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -52.51 -39.42 61.28 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -0.965 . . . . 0.0 109.952 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.36 -33.54 75.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.978 . . . . 0.0 109.743 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -77.48 -28.06 52.11 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 111.011 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.2 mt -50.66 -54.6 34.2 Favored Pre-proline 0 N--CA 1.494 1.751 0 O-C-N 120.903 -1.123 . . . . 0.0 111.516 -177.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.3 Cg_exo -54.94 -16.5 11.99 Favored 'Trans proline' 0 C--N 1.318 -1.078 0 C-N-CA 120.542 0.828 . . . . 0.0 110.457 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.87 -14.68 15.14 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.203 -0.936 . . . . 0.0 110.448 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.06 161.67 41.83 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.2 t -97.74 -178.06 3.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.094 -1.239 . . . . 0.0 108.986 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -53.17 -45.17 68.39 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.913 -1.117 . . . . 0.0 109.943 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.24 -50.08 75.06 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.011 -1.056 . . . . 0.0 109.53 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 17.7 mp0 -65.33 -37.28 86.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.205 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 74' ' ' VAL . 64.4 mt-30 -53.46 -51.44 62.69 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -50.67 -35.31 30.2 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.269 -0.894 . . . . 0.0 108.972 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -75.61 -47.15 27.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.146 -0.971 . . . . 0.0 109.271 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.676 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 33.9 m-85 -58.75 -46.15 88.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.085 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 70' ' ' GLN . 62.0 t -57.98 -32.39 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -66.15 -49.69 66.55 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -73.12 -37.87 66.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 110.504 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.39 -27.54 68.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.932 -1.105 . . . . 0.0 109.797 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.04 50.79 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.137 -0.977 . . . . 0.0 109.54 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.43 -41.52 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.225 -0.922 . . . . 0.0 109.544 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.28 -43.72 92.29 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -69.19 -36.42 77.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -1.233 . . . . 0.0 109.824 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -59.21 -30.46 68.24 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.103 -0.998 . . . . 0.0 109.223 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 85' ' ' LYS . 53.0 mtp180 -73.6 -41.93 62.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.164 -0.96 . . . . 0.0 109.826 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' C ' ' H ' ' A' ' 86' ' ' GLU . 42.9 mt -73.11 29.24 0.06 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.077 -1.015 . . . . 0.0 109.871 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' ARG . 7.2 mtmp? 57.64 5.5 0.33 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 109.866 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -77.94 88.67 4.11 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.126 -0.984 . . . . 0.0 109.091 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -84.4 -38.84 19.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.394 -0.816 . . . . 0.0 109.389 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 18.7 mp0 -61.25 -47.99 83.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.0 109.93 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -76.1 -46.11 30.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.125 -0.985 . . . . 0.0 110.151 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.68 68.1 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.128 -0.982 . . . . 0.0 110.077 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.6 ' CD1' HG21 ' A' ' 114' ' ' ILE . 3.7 mp -57.52 -56.62 19.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.037 -1.039 . . . . 0.0 108.75 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 91' ' ' LEU . 62.0 mttp -41.46 -36.74 0.92 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.359 -0.838 . . . . 0.0 110.496 -177.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 54.4 m-85 -74.4 -50.02 20.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.705 -1.247 . . . . 0.0 108.885 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -42.09 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.864 -1.147 . . . . 0.0 108.548 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -53.71 -26.41 22.86 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.628 -1.295 . . . . 0.0 107.59 178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.51 -32.1 62.38 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' O ' ' OG1' ' A' ' 100' ' ' THR . 3.5 mm? -60.49 -39.54 88.05 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.869 -1.371 . . . . 0.0 108.909 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.628 ' CD2' HD21 ' A' ' 104' ' ' ASN . 9.4 mt -76.56 -50.46 13.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 110.52 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -55.54 -14.54 2.13 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 120.681 -1.262 . . . . 0.0 107.787 179.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.493 ' CG2' HE21 ' A' ' 99' ' ' GLN . 7.3 p -101.87 -46.85 4.78 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.526 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 44.9 mt-10 -136.4 79.6 41.76 Favored Pre-proline 0 N--CA 1.497 1.917 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.866 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.76 43.44 0.2 Allowed 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.542 1.494 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 101' ' ' GLU . 67.7 mt-30 -151.51 -4.34 0.28 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.215 -0.928 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.706 ' H ' ' ND2' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -79.03 106.61 11.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.868 -1.145 . . . . 0.0 109.361 179.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 10.2 p-10 -63.4 -36.71 84.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.327 -0.858 . . . . 0.0 110.05 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -56.84 -38.23 72.36 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.108 -0.995 . . . . 0.0 109.738 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.12 -35.62 48.89 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.093 -1.004 . . . . 0.0 109.353 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.26 -50.3 28.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.254 -0.904 . . . . 0.0 109.629 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -58.62 -32.94 69.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.7 tp -65.81 -40.61 92.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.893 . . . . 0.0 108.939 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.55 -32.54 73.52 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.237 -0.914 . . . . 0.0 109.178 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -61.67 -41.34 97.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.295 -0.878 . . . . 0.0 109.238 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.19 -43.75 98.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -0.882 . . . . 0.0 109.127 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.6 HG21 ' CD1' ' A' ' 91' ' ' LEU . 65.0 mt -70.72 -43.54 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.445 -0.784 . . . . 0.0 109.779 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.3 -50.4 67.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.305 -0.872 . . . . 0.0 109.846 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -56.63 -53.08 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.015 -1.053 . . . . 0.0 109.863 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.96 -49.28 78.45 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.422 ' O ' ' OD2' ' A' ' 121' ' ' ASP . 4.8 ttt -47.84 -49.7 28.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.658 -0.651 . . . . 0.0 110.36 -177.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -80.59 -0.14 36.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.621 -1.299 . . . . 0.0 109.5 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' A' ' 122' ' ' GLY . 15.7 ttmm -87.97 -8.57 55.5 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.247 -0.908 . . . . 0.0 109.339 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.422 ' OD2' ' O ' ' A' ' 118' ' ' MET . 4.3 p30 -61.74 0.21 0.38 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.935 . . . . 0.0 109.479 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 51.35 32.32 29.64 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.8 mt -51.03 125.24 13.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.947 -1.325 . . . . 0.0 108.715 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.9 t -72.57 134.65 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 0.0 110.151 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 95.06 -3.79 67.22 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 8.6 tpt 57.85 -127.06 1.64 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.144 -1.21 . . . . 0.0 109.043 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -61.8 130.45 45.8 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.12 -0.988 . . . . 0.0 109.072 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 129' ' ' VAL . 19.4 mm -138.14 167.18 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.537 ' N ' HG22 ' A' ' 128' ' ' ILE . 16.3 t -146.05 -9.46 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.142 -0.974 . . . . 0.0 109.404 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.91 70.18 1.34 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 171.38 128.4 1.03 Allowed Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.579 ' N ' ' SD ' ' A' ' 132' ' ' MET . 2.0 mpt? -62.82 159.95 15.53 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -1.158 . . . . 0.0 109.423 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -167.89 133.93 2.01 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.254 -0.903 . . . . 0.0 109.441 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.65 80.44 0.18 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.914 . . . . 0.0 109.286 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.46 -177.75 20.43 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -153.42 30.02 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.348 -1.09 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -169.44 -41.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.309 -0.869 . . . . 0.0 109.479 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 140' ' ' ALA . . . -84.04 76.53 2.22 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 139' ' ' LEU . 7.6 mp -77.52 31.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 138' ' ' GLY . . . -64.28 -168.93 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.278 -0.888 . . . . 0.0 109.359 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 175.3 59.32 0.06 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 142' ' ' LEU . 6.0 mp -73.72 -84.91 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.318 -1.107 . . . . 0.0 109.265 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 20.7 pt -68.23 6.85 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.243 -0.91 . . . . 0.0 109.489 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 142' ' ' LEU . . . -54.15 142.01 32.67 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.677 ' CD2' ' H ' ' A' ' 145' ' ' LEU . 1.1 pt? -91.94 -170.5 2.57 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -1.162 . . . . 0.0 109.317 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -119.21 90.74 3.39 Favored 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 148' ' ' HIS . 16.4 t-80 51.47 -120.21 1.59 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.274 -0.892 . . . . 0.0 109.435 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 147' ' ' HIS . 79.9 m80 -157.84 -33.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.15 -0.969 . . . . 0.0 109.461 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.518 ' N ' ' ND1' ' A' ' 149' ' ' HIS . 2.6 p-80 -169.22 81.06 0.13 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 150' ' ' HIS . 51.5 t-80 -70.38 44.89 0.07 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 149' ' ' HIS . 57.7 t-80 -68.0 -76.22 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.177 -0.952 . . . . 0.0 109.5 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.517 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 mtt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 3' ' ' ALA . 1.6 pp20? -170.59 -22.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.413 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.468 ' N ' ' CD ' ' A' ' 2' ' ' GLU . . . -79.35 34.2 0.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.315 -0.865 . . . . 0.0 109.395 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ASN . 34.7 m -83.12 -168.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.631 -0.668 . . . . 0.0 109.457 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 7' ' ' GLU . 7.4 mp -58.12 83.88 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.301 -0.874 . . . . 0.0 109.222 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' VAL . 14.9 m120 -72.58 33.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.403 -0.81 . . . . 0.0 109.625 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' A' ' 5' ' ' LEU . 7.7 pt-20 -76.91 -169.47 1.32 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.178 -0.951 . . . . 0.0 109.166 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.581 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.3 mm? -80.07 -103.2 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.204 -0.935 . . . . 0.0 109.16 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 t -144.71 146.92 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.175 -0.953 . . . . 0.0 109.472 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -84.95 134.09 34.26 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.312 -0.867 . . . . 0.0 109.035 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -50.49 -23.45 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.8 mm-40 -69.5 -45.1 69.71 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.37 -0.831 . . . . 0.0 109.096 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -67.72 -49.68 61.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.263 -0.898 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.59 -48.07 83.1 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.921 -1.112 . . . . 0.0 109.945 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 mt -75.26 -36.33 61.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.776 -1.202 . . . . 0.0 109.885 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 2.0 tmmm? -52.19 -38.02 56.56 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.774 -1.204 . . . . 0.0 108.37 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -74.41 -29.76 61.65 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.289 -0.882 . . . . 0.0 108.792 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -65.61 -41.37 92.83 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -54.4 -46.54 73.16 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tttm -67.28 -48.58 67.26 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.148 -0.97 . . . . 0.0 108.438 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -53.49 -45.21 69.57 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.361 -0.837 . . . . 0.0 108.768 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -71.56 -51.28 24.3 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.67 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 m -55.21 -39.56 69.79 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.587 -1.32 . . . . 0.0 108.176 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -62.37 -48.56 79.22 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -43.51 78.18 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.38 -43.79 71.71 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.7 20.54 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.57 12.42 53.7 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 108.913 -1.675 . . . . 0.0 108.913 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 t -157.54 158.45 35.68 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.324 -1.104 . . . . 0.0 109.914 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.4 t -138.49 126.42 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.585 -0.697 . . . . 0.0 109.238 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 t -83.66 151.71 25.15 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 0.0 109.571 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -58.56 -25.3 62.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.645 -0.659 . . . . 0.0 109.587 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.0 m -53.84 -49.24 68.87 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.214 -0.929 . . . . 0.0 110.85 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -70.32 -48.5 56.29 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.89 -1.131 . . . . 0.0 110.248 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -53.51 -50.27 65.78 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.988 -1.07 . . . . 0.0 109.701 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.665 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.48 -49.14 77.96 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.364 -0.835 . . . . 0.0 110.334 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 53.9 mt-10 -71.62 -28.79 64.03 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.341 -0.849 . . . . 0.0 110.963 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 32.6 t80 -85.49 -21.94 28.43 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.239 -0.913 . . . . 0.0 110.267 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.92 -50.24 21.02 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.948 -1.095 . . . . 0.0 109.91 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' ' SG ' ' A' ' 41' ' ' CYS . 22.0 p-90 -60.98 -33.63 73.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.504 -1.373 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' CZ2' ' A' ' 40' ' ' TRP . 88.2 m -55.83 -40.27 72.57 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.997 -1.065 . . . . 0.0 108.895 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.545 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.0 mt -77.13 -53.88 7.21 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.272 -0.893 . . . . 0.0 109.554 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' ALA . 5.9 t -50.92 -19.31 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.48 -0.762 . . . . 0.0 108.945 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.416 HH11 ' HB3' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -109.12 24.18 13.47 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 42' ' ' LEU . 58.9 p -94.16 160.13 14.84 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.278 -0.889 . . . . 0.0 109.724 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -78.6 -8.23 58.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.309 -0.87 . . . . 0.0 109.696 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -95.6 132.01 41.2 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.168 -0.957 . . . . 0.0 109.554 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' H ' HD22 ' A' ' 48' ' ' ASN . 2.1 m-80 -70.61 -47.31 60.75 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.303 -0.873 . . . . 0.0 109.821 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -49.85 -26.95 4.47 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 110.01 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -27.73 60.28 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 109.917 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 51' ' ' ILE . 53.4 mt -76.29 -53.05 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.042 -1.037 . . . . 0.0 110.071 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.788 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.4 ptm180 -54.58 -31.54 56.96 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.692 -1.255 . . . . 0.0 107.812 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.9 tttt -81.67 -39.41 24.38 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.9 -36.9 91.75 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.6 mt -64.15 -40.61 89.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 O-C-N 121.137 -1.214 . . . . 0.0 108.245 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 52' ' ' ARG . 91.3 t -61.07 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.9 mt -50.55 -44.84 56.68 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.609 -0.682 . . . . 0.0 109.193 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 39' ' ' ALA . 37.0 mt -67.84 -44.85 76.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.025 . . . . 0.0 109.092 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.53 -33.55 60.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.296 -0.878 . . . . 0.0 109.84 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.59 -32.77 70.26 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.151 -0.968 . . . . 0.0 109.876 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.7 mt -76.25 -29.41 57.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.14 -0.975 . . . . 0.0 111.355 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -54.08 -54.63 45.23 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 120.861 -1.149 . . . . 0.0 111.381 -178.151 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.0 Cg_exo -54.06 -22.81 26.27 Favored 'Trans proline' 0 C--N 1.319 -0.999 0 C-N-CA 120.597 0.864 . . . . 0.0 110.494 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -126.85 51.12 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.306 -0.871 . . . . 0.0 110.011 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -128.59 151.88 19.07 Favored Glycine 0 N--CA 1.502 3.094 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.403 ' H ' ' CD ' ' A' ' 69' ' ' GLU . 6.8 m -64.38 -172.72 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.973 -1.31 . . . . 0.0 108.958 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -74.75 -46.02 40.07 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.95 -1.093 . . . . 0.0 108.914 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.17 -45.56 92.84 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 66' ' ' SER . 48.8 mt-10 -56.45 -34.73 67.13 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' C ' ' HE ' ' A' ' 71' ' ' ARG . 1.1 tt0 -54.67 -38.83 67.41 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.728 ' HE ' ' N ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -71.56 -29.37 64.65 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.54 -0.725 . . . . 0.0 109.802 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.43 -52.15 17.19 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.039 -1.038 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.665 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 61.2 m-85 -53.12 -37.91 62.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.947 -1.096 . . . . 0.0 108.826 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 70' ' ' GLN . 75.8 t -61.15 -33.9 58.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.74 -50.3 58.03 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.594 -0.691 . . . . 0.0 110.044 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.35 -38.42 74.8 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.779 -1.201 . . . . 0.0 110.003 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 59.5 mt -59.98 -38.79 83.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.022 -1.049 . . . . 0.0 109.602 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.28 -31.83 72.87 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.038 -1.039 . . . . 0.0 109.031 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.83 -46.78 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.317 -0.864 . . . . 0.0 109.722 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.6 -38.92 96.64 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 77' ' ' LEU . 3.6 m-80 -71.45 -27.91 63.6 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.206 -1.173 . . . . 0.0 109.492 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.7 t80 -68.1 -29.56 68.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.01 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.571 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -74.19 -47.92 32.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 109.845 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 86' ' ' GLU . 37.2 mt -70.35 31.85 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.098 -1.001 . . . . 0.0 110.203 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 46.5 mttp 54.86 3.28 0.05 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.132 -0.98 . . . . 0.0 110.269 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 84' ' ' LEU . 80.1 mt-10 -78.09 88.08 4.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.947 -1.096 . . . . 0.0 109.24 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -84.22 -38.03 21.06 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.259 -0.901 . . . . 0.0 109.805 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.51 -50.62 72.48 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.135 -0.978 . . . . 0.0 109.883 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.268 -0.895 . . . . 0.0 109.85 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.93 86.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.104 -0.998 . . . . 0.0 109.515 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.568 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.8 mp -76.07 -19.31 58.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.208 -0.932 . . . . 0.0 109.392 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -73.16 -35.98 66.54 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -74.58 -41.37 60.63 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.826 -0.546 . . . . 0.0 109.778 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.78 -30.62 18.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.166 -0.959 . . . . 0.0 110.77 -178.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.551 ' CG ' HH11 ' A' ' 95' ' ' ARG . 0.0 OUTLIER -64.45 -48.57 74.79 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 119.947 -1.721 . . . . 0.0 108.275 179.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.29 -27.66 72.68 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 100' ' ' THR . 36.3 tp -62.57 -37.43 86.14 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.212 -1.169 . . . . 0.0 109.045 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.53 -35.93 58.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.922 -1.111 . . . . 0.0 109.387 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -54.38 -24.01 17.88 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 40.2 p -96.45 -48.15 5.68 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -130.75 77.6 75.28 Favored Pre-proline 0 N--CA 1.5 2.067 0 O-C-N 121.785 -0.572 . . . . 0.0 109.996 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.489 ' O ' ' NZ ' ' A' ' 108' ' ' LYS . 2.1 Cg_endo -65.99 -15.28 48.12 Favored 'Trans proline' 0 C--N 1.319 -0.983 0 C-N-CA 121.492 1.462 . . . . 0.0 109.631 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -88.54 -3.35 58.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.374 -0.829 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.456 HD22 ' HB2' ' A' ' 107' ' ' ALA . 56.7 t30 -73.11 103.88 4.0 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 0.0 109.414 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.728 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.9 OUTLIER -70.04 -39.46 75.72 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.369 -0.832 . . . . 0.0 110.524 -179.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -55.59 -28.84 57.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.955 -1.09 . . . . 0.0 109.368 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.456 ' HB2' HD22 ' A' ' 104' ' ' ASN . . . -77.19 -42.16 38.63 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.342 -0.849 . . . . 0.0 109.203 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 102' ' ' PRO . 55.6 mttp -57.9 -40.63 80.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.275 -0.89 . . . . 0.0 109.386 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.79 -51.24 70.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 109.413 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.7 tp -51.68 -41.61 61.55 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.465 -0.772 . . . . 0.0 109.388 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.64 -33.62 76.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.05 -1.031 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.6 -48.11 42.47 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 110.19 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 32.2 mt -56.74 -46.53 81.29 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.167 -0.958 . . . . 0.0 109.154 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.568 HG21 ' CD1' ' A' ' 91' ' ' LEU . 43.9 mt -68.6 -50.3 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.38 -0.825 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 119' ' ' LYS . 6.6 t70 -54.64 -43.94 72.77 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.458 -0.776 . . . . 0.0 110.174 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.63 -53.41 57.95 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.982 -1.074 . . . . 0.0 109.915 -179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.7 80.63 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.99 -43.69 29.97 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.711 -0.618 . . . . 0.0 111.314 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 23.6 mmtm -73.2 -65.2 0.84 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.463 -1.398 . . . . 0.0 109.969 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 122' ' ' GLY . 0.0 OUTLIER -56.33 -5.42 0.2 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.971 -1.081 . . . . 0.0 109.834 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 119' ' ' LYS . 25.2 t70 -55.67 -4.51 0.11 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.106 -0.996 . . . . 0.0 109.969 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 134.66 92.86 0.44 Allowed Glycine 0 N--CA 1.498 2.798 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.4 127.14 32.28 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -1.143 . . . . 0.0 109.246 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.5 t -89.35 150.07 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 109.514 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -67.04 -5.29 32.52 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 65.2 mtt 48.94 -127.27 2.05 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -1.157 . . . . 0.0 109.08 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.42 125.94 30.56 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.208 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.28 -160.15 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 131' ' ' GLY . 25.0 t 54.45 83.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.613 -0.679 . . . . 0.0 109.848 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' MET . . . 72.21 -20.2 0.97 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 68.32 -50.97 0.43 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -170.58 115.18 0.46 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.288 -1.125 . . . . 0.0 109.242 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -74.98 123.5 25.25 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.191 -0.943 . . . . 0.0 109.664 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.468 HD23 ' H ' ' A' ' 134' ' ' LEU . 0.1 OUTLIER -88.81 -169.18 2.44 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.303 -0.873 . . . . 0.0 108.983 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 137' ' ' ALA . . . 90.77 -64.7 2.76 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.8 m -50.3 -18.28 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -1.153 . . . . 0.0 109.405 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 135' ' ' GLY . . . -86.62 123.72 32.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 109.438 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -172.9 75.85 0.09 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.4 mt -77.28 -59.71 2.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.258 -1.142 . . . . 0.0 109.419 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.57 -51.84 25.7 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.213 -0.929 . . . . 0.0 109.499 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 71.18 81.22 0.29 Allowed Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 144' ' ' GLY . 14.5 mt -78.43 177.81 8.21 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -1.148 . . . . 0.0 109.49 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 19.5 pt -76.14 25.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.239 -0.913 . . . . 0.0 109.477 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 142' ' ' LEU . . . -77.33 157.78 46.78 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 144' ' ' GLY . 33.0 mt -62.75 -127.9 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -1.151 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 4.0 pt-20 -154.26 -43.46 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 146' ' ' GLU . 37.8 m80 -159.45 -18.61 0.06 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 109.49 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -52.71 -8.32 0.09 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.476 ' H ' ' C ' ' A' ' 147' ' ' HIS . 12.2 t-80 -68.44 -16.78 64.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.223 -0.923 . . . . 0.0 109.518 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.428 ' N ' ' ND1' ' A' ' 150' ' ' HIS . 0.5 OUTLIER -65.59 -49.7 67.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.298 -0.876 . . . . 0.0 109.534 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.481 ' N ' ' ND1' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -168.79 -169.23 0.98 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.25 -0.906 . . . . 0.0 109.448 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 117.974 -1.013 . . . . 0.0 109.462 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 3' ' ' ALA . 6.8 tp10 -170.88 -6.05 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 2' ' ' GLU . . . -55.76 -168.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.216 -0.928 . . . . 0.0 109.421 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.437 ' H ' HG22 ' A' ' 4' ' ' VAL . 2.1 m -92.75 86.36 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 7' ' ' GLU . 5.6 mp -71.78 43.93 0.1 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.141 -0.974 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 6' ' ' ASN . 15.3 p30 -63.9 80.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.314 -0.866 . . . . 0.0 109.024 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' LEU . 29.6 tt0 -79.87 135.1 36.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.081 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' VAL . 35.5 tp -148.9 143.05 25.98 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 48.7 t -42.62 117.2 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.226 -0.921 . . . . 0.0 109.678 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.3 m -48.48 119.29 2.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.367 -0.833 . . . . 0.0 109.56 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -49.82 -24.84 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 71.3 mm-40 -67.4 -47.5 70.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' OD2' ' SG ' ' A' ' 41' ' ' CYS . 11.3 t70 -67.62 -45.22 76.05 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 108.982 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 14' ' ' LEU . 1.8 tm? -59.32 -50.16 75.04 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.409 -0.807 . . . . 0.0 109.657 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.3 mt -76.0 -39.63 55.41 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.78 -1.2 . . . . 0.0 109.984 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 3.1 tmmm? -52.61 -48.81 66.08 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.763 -1.211 . . . . 0.0 108.798 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -68.05 -30.19 69.34 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -68.7 -41.83 78.57 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -56.39 -40.66 74.98 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -61.67 -49.34 76.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.3 -0.875 . . . . 0.0 109.03 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -54.16 -35.95 62.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.212 -0.93 . . . . 0.0 109.106 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -72.79 -52.36 15.27 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.417 -0.802 . . . . 0.0 109.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t -65.81 -45.95 80.42 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.827 -1.171 . . . . 0.0 110.002 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -59.8 -42.12 92.71 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.073 -1.017 . . . . 0.0 108.667 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -69.78 -38.99 76.9 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.81 71.37 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.42 -16.26 22.27 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.07 16.46 50.76 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' GLU . 57.8 m -154.12 123.38 6.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.55 -0.971 . . . . 0.0 109.062 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.47 125.62 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.449 -0.782 . . . . 0.0 109.9 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.4 p -74.17 134.36 42.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.456 -0.778 . . . . 0.0 109.396 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.63 -19.08 14.39 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.359 -0.838 . . . . 0.0 109.286 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.2 t -75.25 -38.66 60.42 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.375 -0.828 . . . . 0.0 110.439 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.6 m -64.58 -48.84 73.49 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 120.959 -1.088 . . . . 0.0 110.16 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' OE1' HD21 ' A' ' 61' ' ' LEU . 96.1 mt-30 -59.14 -40.9 86.91 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.932 -1.105 . . . . 0.0 109.45 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.699 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -64.95 -50.21 67.31 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.406 -0.809 . . . . 0.0 110.52 -179.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -68.93 -23.86 64.21 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 121.99 0.9 . . . . 0.0 110.51 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 47.4 t80 -81.16 -29.62 34.64 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.533 -0.729 . . . . 0.0 110.699 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.47 -51.72 16.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.78 -1.2 . . . . 0.0 110.612 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -57.7 -32.91 67.83 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 117.555 -1.658 . . . . 0.0 108.219 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.484 ' SG ' ' OD2' ' A' ' 13' ' ' ASP . 0.5 OUTLIER -56.15 -42.23 76.66 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.842 -1.161 . . . . 0.0 109.243 178.536 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.4 mt -78.06 -49.02 14.78 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.13 -0.981 . . . . 0.0 110.416 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 39' ' ' ALA . 25.2 t -49.67 -19.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.24 -0.912 . . . . 0.0 109.465 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -94.67 12.84 26.29 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.372 -0.83 . . . . 0.0 109.271 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 42' ' ' LEU . 52.7 p -96.04 159.43 14.97 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.167 -0.958 . . . . 0.0 109.09 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 36.4 mtmt -97.65 53.07 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.173 -0.954 . . . . 0.0 109.766 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' LYS . 59.2 m-85 -149.98 119.49 6.93 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.257 -0.902 . . . . 0.0 108.845 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -50.14 -48.98 53.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.355 -0.84 . . . . 0.0 111.138 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -51.99 -45.12 64.38 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.734 -1.229 . . . . 0.0 111.241 -178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -32.07 72.02 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.777 -1.202 . . . . 0.0 109.785 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.3 mt -78.24 -41.29 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 120.868 -1.145 . . . . 0.0 109.035 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -51.99 -31.28 28.74 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -73.09 -40.39 65.03 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.72 -39.27 66.63 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.67 -54.75 30.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 O-C-N 121.012 -1.287 . . . . 0.0 109.181 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 t -60.69 -51.99 66.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 CA-C-O 121.353 0.597 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -50.85 -47.74 60.21 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.39 -0.819 . . . . 0.0 109.36 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.45 -45.4 38.86 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.081 -1.012 . . . . 0.0 110.077 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -59.15 -51.66 69.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.794 -1.191 . . . . 0.0 109.481 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.18 -32.22 46.76 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.002 -1.061 . . . . 0.0 109.399 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD21 ' OE1' ' A' ' 35' ' ' GLN . 47.9 mt -76.95 -27.79 54.94 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.531 -0.73 . . . . 0.0 111.343 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 mt -50.27 -54.34 35.14 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 120.705 -1.247 . . . . 0.0 111.541 -177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 5.1 Cg_exo -55.98 -21.07 32.45 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 N-CA-C 109.92 -0.838 . . . . 0.0 109.92 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -103.39 5.22 37.02 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.337 -0.852 . . . . 0.0 110.968 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.49 146.94 17.43 Favored Glycine 0 N--CA 1.503 3.145 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -70.88 -163.18 0.08 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.015 -1.285 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' ' CD ' ' A' ' 67' ' ' LYS . 12.3 mptt -74.89 -45.73 40.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.83 -1.168 . . . . 0.0 109.141 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.75 -31.18 70.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.07 -1.019 . . . . 0.0 108.463 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -68.86 -38.48 79.78 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . 30.7 mt-30 -54.75 -49.65 70.32 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.505 ' NH2' ' OE2' ' A' ' 101' ' ' GLU . 38.0 mtp180 -52.22 -37.3 54.66 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.312 -0.868 . . . . 0.0 109.129 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -77.62 -51.68 10.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.003 -1.06 . . . . 0.0 109.306 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.699 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 30.9 m-85 -56.14 -43.79 78.6 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.123 -0.986 . . . . 0.0 108.667 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 70' ' ' GLN . 61.7 t -60.61 -33.63 55.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -66.99 -49.81 64.21 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.658 -0.651 . . . . 0.0 110.215 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -70.01 -39.14 76.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.848 -1.157 . . . . 0.0 109.938 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.3 mt -60.48 -45.02 95.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.956 -1.09 . . . . 0.0 109.702 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.3 -33.84 69.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.042 -1.036 . . . . 0.0 108.823 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.67 -41.88 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.387 -0.821 . . . . 0.0 109.528 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.37 -44.37 84.95 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -65.71 -27.33 68.25 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -1.218 . . . . 0.0 109.249 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -70.64 -29.72 66.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 108.936 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' LYS . 20.7 mmm180 -73.08 -47.69 42.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.364 -0.835 . . . . 0.0 109.744 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' C ' ' H ' ' A' ' 86' ' ' GLU . 44.6 mt -68.86 27.91 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.18 -0.95 . . . . 0.0 110.284 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' ARG . 68.3 mttt 57.02 1.74 0.1 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.035 -1.041 . . . . 0.0 109.974 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 84' ' ' LEU . 64.8 mm-40 -76.81 87.0 3.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 109.006 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.484 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 6.6 m-85 -79.07 -36.55 40.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 109.919 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 19.6 mp0 -62.74 -50.17 72.15 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.163 -0.96 . . . . 0.0 110.153 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -66.99 -36.02 81.25 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.158 -0.964 . . . . 0.0 110.112 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.33 46.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.147 -0.971 . . . . 0.0 109.912 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.51 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -59.63 -20.53 56.63 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.032 -1.042 . . . . 0.0 109.306 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.41 -36.22 63.46 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.914 -1.116 . . . . 0.0 108.003 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.21 -38.88 55.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.722 -0.611 . . . . 0.0 109.668 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -34.4 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.216 -0.928 . . . . 0.0 110.543 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -65.29 -48.09 74.36 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.316 -1.49 . . . . 0.0 109.414 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.21 -28.16 73.65 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' O ' ' OG1' ' A' ' 100' ' ' THR . 55.6 tp -61.75 -36.56 81.37 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.284 -1.127 . . . . 0.0 108.978 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.2 mt -75.41 -33.83 60.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.979 -1.075 . . . . 0.0 109.304 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -52.71 -29.53 27.35 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 28.3 p -89.61 -45.84 9.07 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 121.616 0.722 . . . . 0.0 109.11 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.505 ' OE2' ' NH2' ' A' ' 71' ' ' ARG . 36.1 mt-10 -130.23 78.23 74.89 Favored Pre-proline 0 N--CA 1.501 2.091 0 O-C-N 121.931 -0.481 . . . . 0.0 110.228 -178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.59 -17.58 60.03 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 C-N-CA 121.59 1.526 . . . . 0.0 110.472 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -95.1 10.03 37.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.067 -1.021 . . . . 0.0 110.337 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 27.3 t-20 -81.65 112.83 19.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.89 -1.131 . . . . 0.0 109.479 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -69.99 -43.27 71.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.335 -0.853 . . . . 0.0 110.681 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -56.4 -33.29 65.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.963 -1.085 . . . . 0.0 109.93 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 104' ' ' ASN . . . -79.44 -38.72 34.02 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.094 -1.004 . . . . 0.0 109.541 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -68.1 -46.35 71.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 110.007 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.15 -37.63 83.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.057 -1.027 . . . . 0.0 109.438 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.31 -41.14 96.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.078 -1.014 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.56 -28.85 68.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.198 -0.938 . . . . 0.0 109.347 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -71.61 -44.59 64.14 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.204 -0.935 . . . . 0.0 109.703 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.67 -47.63 81.76 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.178 -0.951 . . . . 0.0 109.164 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.51 HG21 ' CD1' ' A' ' 91' ' ' LEU . 39.0 mt -65.18 -52.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.509 -179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -54.43 -40.2 68.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -55.51 -48.06 75.23 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.41 -49.15 78.33 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.484 ' SD ' ' CD2' ' A' ' 87' ' ' TYR . 24.9 mmm -48.11 -48.8 33.58 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.486 -0.759 . . . . 0.0 110.207 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -63.02 -33.15 74.82 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.559 -1.338 . . . . 0.0 109.315 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 122' ' ' GLY . 2.8 ttmp? -67.36 -57.23 7.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.249 -0.907 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -74.73 22.16 0.1 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.887 . . . . 0.0 109.44 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -150.23 51.62 0.53 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -48.42 110.5 0.34 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.367 -1.078 . . . . 0.0 109.736 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.545 HG22 ' N ' ' A' ' 125' ' ' GLY . 6.4 p -110.97 162.82 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 124' ' ' VAL . . . 62.36 72.63 0.62 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 41.2 mtt -58.52 -101.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -1.117 . . . . 0.0 109.382 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.76 133.61 36.33 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.183 -0.948 . . . . 0.0 109.339 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.5 tt -141.56 15.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.264 0 CA-C-O 122.895 1.331 . . . . 0.0 108.497 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 130' ' ' GLY . 42.1 t 45.6 73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.618 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 129' ' ' VAL . . . 61.7 145.72 0.01 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -177.39 148.3 8.71 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 67.1 mtt 50.38 94.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.208 -1.172 . . . . 0.0 109.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -172.12 142.18 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.194 -0.941 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.4 mt -68.1 76.41 0.23 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.4 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -173.73 -16.77 0.02 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.4 t -64.64 99.21 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -1.146 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -53.45 177.31 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.286 -0.884 . . . . 0.0 109.489 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -65.93 2.94 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.1 mt 56.06 70.1 0.67 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -1.14 . . . . 0.0 109.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.83 150.31 20.42 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.496 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -178.8 76.99 0.07 OUTLIER Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.12 -56.89 8.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.25 -1.147 . . . . 0.0 109.431 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 19.1 pt -63.1 -30.57 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.269 -0.894 . . . . 0.0 109.415 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 50.34 -103.6 0.09 OUTLIER Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 145' ' ' LEU . 0.3 OUTLIER -72.25 -124.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -1.145 . . . . 0.0 109.447 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 69.81 -6.27 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.35 -0.843 . . . . 0.0 109.063 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' A' ' 145' ' ' LEU . 32.2 m170 -94.25 -46.64 6.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 109.352 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -171.88 -82.05 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.564 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 25.3 t60 -170.98 -179.14 2.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.893 . . . . 0.0 109.42 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.564 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 31.6 m170 51.58 -156.27 0.14 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -167.06 179.94 4.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.448 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.464 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.74 82.87 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.75 -179.92 0.14 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.4 m -64.28 141.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.213 -0.929 . . . . 0.0 109.456 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.6 mm? -90.36 75.02 6.9 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.257 -0.902 . . . . 0.0 109.151 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 7' ' ' GLU . 18.3 t-20 -77.64 18.55 0.44 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.121 -0.987 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 5' ' ' LEU . 43.2 tt0 43.5 94.08 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.66 -0.65 . . . . 0.0 110.211 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.47 -75.09 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.162 -0.961 . . . . 0.0 109.153 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.26 117.55 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.0 m -65.67 135.62 55.23 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.358 -0.838 . . . . 0.0 109.384 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 t -49.74 -29.83 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.297 -0.877 . . . . 0.0 109.069 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.65 -42.16 95.61 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.068 -1.02 . . . . 0.0 108.763 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.31 -43.66 77.13 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.434 -0.791 . . . . 0.0 109.931 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -43.62 87.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.88 -1.138 . . . . 0.0 109.82 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.41 -37.68 56.71 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.775 -1.203 . . . . 0.0 109.186 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -47.89 63.51 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.945 . . . . 0.0 108.676 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -71.5 -27.58 63.32 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -70.59 -38.35 74.01 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 0.0 108.522 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -54.11 -46.43 72.13 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -56.47 -48.44 77.11 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.101 -0.999 . . . . 0.0 108.768 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -57.35 -32.24 66.55 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.19 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -74.27 -52.91 10.91 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.297 -0.877 . . . . 0.0 109.85 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -57.19 -50.65 72.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.666 -1.271 . . . . 0.0 109.931 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 29' ' ' SER . 12.0 mm-40 -57.43 -52.1 66.76 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.135 -0.978 . . . . 0.0 108.797 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -58.38 -38.09 76.6 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.327 -0.858 . . . . 0.0 109.433 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.93 -40.71 70.2 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -15.25 17.75 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.79 47.47 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.475 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.4 t -151.59 159.42 44.09 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.518 -0.99 . . . . 0.0 108.949 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -137.75 125.34 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.366 -0.834 . . . . 0.0 109.351 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -75.19 140.9 43.61 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.395 -0.816 . . . . 0.0 109.474 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.06 -35.44 64.53 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.417 -0.802 . . . . 0.0 108.974 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.6 m -53.47 -35.98 61.15 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.934 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -49.03 16.48 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.102 -0.998 . . . . 0.0 109.343 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' HD21 ' A' ' 61' ' ' LEU . 7.6 tt0 -58.98 -38.29 78.8 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 109.562 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.25 -53.01 27.62 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 110.296 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.83 -16.82 60.68 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.179 -0.951 . . . . 0.0 110.017 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.42 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 30.7 t80 -76.67 -40.47 48.86 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.044 -1.035 . . . . 0.0 109.126 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.854 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -66.92 -37.13 83.77 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.091 -1.006 . . . . 0.0 109.03 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -55.7 -44.98 77.91 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.331 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.7 m -54.46 -43.92 72.1 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.634 -0.666 . . . . 0.0 110.408 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 15.5 mt -76.96 -39.75 49.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.905 -1.122 . . . . 0.0 110.459 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 39' ' ' ALA . 62.0 t -52.74 -21.29 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 O-C-N 121.059 -1.025 . . . . 0.0 109.763 -179.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' NH1' ' HG2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -108.63 28.51 8.32 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 p -86.08 161.56 18.85 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.782 -1.199 . . . . 0.0 109.655 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -82.91 -6.28 59.39 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -106.85 140.23 40.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.482 -0.761 . . . . 0.0 109.485 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -71.11 -45.0 64.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.351 -0.843 . . . . 0.0 110.309 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.01 -35.82 36.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -73.88 -32.05 63.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.843 -1.16 . . . . 0.0 108.934 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.83 -47.84 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 120.976 -1.078 . . . . 0.0 108.709 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' CG ' HH11 ' A' ' 52' ' ' ARG . 0.5 OUTLIER -52.47 -38.38 59.24 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 178.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -71.33 -36.58 71.61 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -63.13 -39.27 97.77 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.8 -33.23 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 120.892 -1.358 . . . . 0.0 108.111 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.92 -50.06 51.72 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 57' ' ' LEU . 60.7 mt -48.68 -50.22 34.2 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.6 mt -63.75 -45.33 90.32 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.024 -1.047 . . . . 0.0 109.545 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.76 -43.4 80.74 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.143 -0.973 . . . . 0.0 110.064 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.83 -34.74 65.67 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.139 -0.976 . . . . 0.0 110.256 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD21 ' NE2' ' A' ' 35' ' ' GLN . 20.9 mt -77.98 -27.46 49.09 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.207 -0.933 . . . . 0.0 111.687 -178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -49.64 -53.77 38.02 Favored Pre-proline 0 N--CA 1.495 1.811 0 O-C-N 120.69 -1.257 . . . . 0.0 111.169 -177.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 3.7 Cg_exo -58.6 -21.07 53.26 Favored 'Trans proline' 0 C--N 1.315 -1.196 0 N-CA-C 110.018 -0.801 . . . . 0.0 110.018 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -106.84 -5.93 18.03 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.306 -0.871 . . . . 0.0 111.407 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.24 149.1 23.57 Favored Glycine 0 N--CA 1.5 2.903 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 m -64.56 -164.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.051 -1.264 . . . . 0.0 109.054 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.06 -46.49 28.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.755 -1.216 . . . . 0.0 109.477 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.19 -40.76 96.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.1 -1.0 . . . . 0.0 109.412 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 6.3 mp0 -61.78 -33.66 74.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -59.73 -49.19 78.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.934 -1.104 . . . . 0.0 108.505 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.26 -33.2 40.75 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.19 -0.944 . . . . 0.0 108.905 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.02 -47.42 20.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.249 -0.907 . . . . 0.0 109.284 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 25.1 m-85 -54.31 -45.05 72.49 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.076 -1.015 . . . . 0.0 108.96 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.75 -33.52 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 109.145 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -63.93 -50.47 68.54 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.204 -0.935 . . . . 0.0 110.717 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -68.8 -35.25 76.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.673 -1.267 . . . . 0.0 110.044 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.44 -44.71 92.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.107 -0.995 . . . . 0.0 109.427 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.34 -31.82 71.7 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.086 -1.009 . . . . 0.0 108.891 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.43 -46.2 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.301 -0.874 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.04 -44.15 94.76 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.21 -28.49 67.29 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.179 -1.189 . . . . 0.0 109.505 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 82' ' ' TYR . 4.0 t80 -66.04 -29.92 70.37 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.544 HH11 ' CG ' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.68 -42.41 58.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 110.096 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.53 ' C ' ' H ' ' A' ' 86' ' ' GLU . 39.5 mt -67.17 31.99 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.993 -1.067 . . . . 0.0 110.479 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 83' ' ' ARG . 15.2 ttpp 56.82 -0.58 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.032 -1.043 . . . . 0.0 110.173 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 84' ' ' LEU . 50.3 mm-40 -78.23 91.84 4.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.895 -1.128 . . . . 0.0 109.027 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -84.49 -36.71 22.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.327 -0.858 . . . . 0.0 110.362 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -69.51 -51.23 37.73 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.735 -1.228 . . . . 0.0 110.145 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.93 -47.86 78.83 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.089 -1.007 . . . . 0.0 110.216 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.41 -36.1 61.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.961 -1.087 . . . . 0.0 109.865 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.1 mt -76.12 -17.28 59.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.087 -1.008 . . . . 0.0 109.734 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -65.63 -39.83 91.89 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -77.24 -33.42 56.09 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.832 -0.543 . . . . 0.0 109.569 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 -39.55 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.037 -1.039 . . . . 0.0 109.011 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 40.9 mtp180 -61.51 -46.83 88.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.397 -1.439 . . . . 0.0 109.218 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.61 -27.96 73.48 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' OG1' ' A' ' 100' ' ' THR . 40.0 tp -61.76 -36.12 80.11 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.209 -1.171 . . . . 0.0 108.988 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.8 mt -75.82 -35.78 59.9 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.848 -1.158 . . . . 0.0 109.37 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -52.94 -27.89 20.99 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 20.1 p -92.14 -44.97 8.51 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.627 0.727 . . . . 0.0 109.086 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -130.98 76.85 76.32 Favored Pre-proline 0 N--CA 1.502 2.14 0 O-C-N 121.914 -0.491 . . . . 0.0 110.141 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -65.8 -21.26 58.25 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 121.334 1.356 . . . . 0.0 109.679 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -84.4 -1.31 55.36 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.253 -0.905 . . . . 0.0 109.666 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -71.89 99.93 2.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.089 -1.007 . . . . 0.0 109.517 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -67.42 -37.39 82.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.279 -0.888 . . . . 0.0 109.604 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -56.29 -45.89 80.01 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.15 -0.969 . . . . 0.0 109.372 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.54 84.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.472 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -60.35 -35.28 75.3 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.235 -0.916 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.14 -51.67 59.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -54.19 -37.52 64.6 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.449 -0.782 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.83 -35.53 80.23 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.222 -0.924 . . . . 0.0 108.772 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -72.55 -48.57 39.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.328 -0.857 . . . . 0.0 109.455 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 40.7 mt -57.48 -48.82 78.19 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.147 -0.971 . . . . 0.0 108.812 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.2 -38.86 81.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 O-C-N 121.627 -0.67 . . . . 0.0 109.724 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -75.28 -44.54 45.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.203 -0.936 . . . . 0.0 109.634 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -56.4 -52.13 65.75 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.221 -0.925 . . . . 0.0 109.416 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.24 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.431 ' O ' ' OD1' ' A' ' 121' ' ' ASP . 29.9 ttm -48.4 -42.94 33.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.68 -0.638 . . . . 0.0 110.361 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -81.85 -27.26 33.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.621 -1.299 . . . . 0.0 109.67 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 122' ' ' GLY . 83.3 tttt -81.43 -12.28 58.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.194 -0.941 . . . . 0.0 109.776 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 118' ' ' MET . 54.1 p-10 -68.7 9.44 0.37 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.018 . . . . 0.0 109.434 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 88.53 -52.78 4.03 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 123' ' ' LEU . 4.1 mp -49.77 158.33 0.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -1.198 . . . . 0.0 108.785 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.543 ' O ' ' N ' ' A' ' 126' ' ' MET . 3.0 t 54.02 167.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.478 ' N ' ' CG1' ' A' ' 124' ' ' VAL . . . 66.02 -56.41 0.16 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.543 ' N ' ' O ' ' A' ' 124' ' ' VAL . 25.0 mmt 53.95 -162.16 0.12 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -1.134 . . . . 0.0 108.903 -179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.31 129.32 41.49 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.054 -1.029 . . . . 0.0 109.423 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mm -105.42 148.79 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.54 -0.725 . . . . 0.0 109.163 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 31.9 t -147.3 -23.92 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.234 -0.916 . . . . 0.0 109.463 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.46 82.58 0.1 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -73.87 -172.62 26.32 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 44.4 mtt -69.83 -28.63 65.86 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -1.161 . . . . 0.0 109.483 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -71.78 150.95 43.91 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.6 mt -69.99 170.02 12.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.263 -0.898 . . . . 0.0 109.402 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.13 127.6 21.63 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -69.96 -12.76 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.308 -1.113 . . . . 0.0 109.508 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -171.77 -93.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.204 -0.935 . . . . 0.0 109.391 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.47 -63.87 1.79 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 50.2 mt 52.5 72.67 0.39 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.202 -1.175 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.81 -58.1 0.51 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.318 -0.864 . . . . 0.0 109.295 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -175.26 89.91 0.08 OUTLIER Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 142' ' ' LEU . 0.3 OUTLIER -165.21 34.4 0.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -1.135 . . . . 0.0 109.218 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 16.6 tt -146.56 -13.8 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.132 -0.98 . . . . 0.0 109.39 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.77 139.7 6.15 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.49 91.19 2.25 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -1.133 . . . . 0.0 109.346 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 10.3 pt-20 -66.46 -17.26 64.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.259 -0.901 . . . . 0.0 109.461 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 146' ' ' GLU . 52.9 m80 -158.55 170.55 21.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.882 . . . . 0.0 109.456 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 147' ' ' HIS . 19.4 m80 56.84 164.31 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.339 -0.851 . . . . 0.0 109.605 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.547 ' N ' ' ND1' ' A' ' 149' ' ' HIS . 3.3 p-80 -173.28 92.63 0.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 109.417 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -69.03 64.8 0.13 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.516 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 149' ' ' HIS . 43.6 t-80 51.5 94.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.912 . . . . 0.0 109.493 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 10.8 t60 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.466 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 mtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 51.87 74.4 0.26 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 0.0 109.423 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -71.65 132.93 45.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 109.46 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -68.03 54.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.224 -0.923 . . . . 0.0 109.453 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' ALA . 4.5 tp -94.89 30.19 2.16 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 122.262 1.03 . . . . 0.0 108.472 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 5' ' ' LEU . 19.9 m-20 52.59 176.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.822 -1.174 . . . . 0.0 109.5 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -44.35 146.82 0.63 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.767 -0.583 . . . . 0.0 109.724 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.41 -79.1 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.18 -0.95 . . . . 0.0 109.359 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -90.35 158.95 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.096 -1.002 . . . . 0.0 109.167 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.8 m -89.43 128.01 35.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.331 -0.856 . . . . 0.0 108.81 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.53 -23.06 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.25 -0.906 . . . . 0.0 108.895 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 48.7 mt-10 -66.49 -45.98 77.82 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.403 -0.811 . . . . 0.0 109.261 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -67.8 -50.69 55.51 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.121 -0.987 . . . . 0.0 110.492 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mm? -54.35 -48.97 70.82 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.933 -1.104 . . . . 0.0 109.439 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LYS . 58.6 mt -77.73 -42.39 34.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.951 -1.093 . . . . 0.0 110.513 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 4.0 tmmm? -51.63 -47.48 63.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.619 -1.301 . . . . 0.0 108.642 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 26.8 m-85 -67.32 -29.06 68.53 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -75.16 -34.61 61.61 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' LEU . 44.6 tttt -54.4 -45.99 73.04 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -62.59 -46.75 86.88 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.58 -38.89 60.87 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.363 -0.835 . . . . 0.0 109.329 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -72.41 -51.66 19.41 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.291 -0.881 . . . . 0.0 110.346 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 m -65.06 -35.63 81.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.782 -1.198 . . . . 0.0 109.647 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' SER . 45.0 mm-40 -59.04 -49.86 76.3 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.298 -0.876 . . . . 0.0 109.812 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -63.34 -33.6 75.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.001 -1.062 . . . . 0.0 108.914 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.72 82.62 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.47 -16.77 26.13 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.8 15.46 52.39 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 108.942 -1.663 . . . . 0.0 108.942 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLU . 75.0 m -151.94 157.19 41.44 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.391 -1.064 . . . . 0.0 109.757 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.41 121.86 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.433 -0.792 . . . . 0.0 109.603 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.5 p -80.87 142.35 33.7 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.534 -0.729 . . . . 0.0 109.409 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -55.59 -30.47 60.91 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.345 -0.847 . . . . 0.0 109.135 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -54.24 -48.53 71.01 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.9 m -65.08 -49.93 68.1 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.085 -1.009 . . . . 0.0 110.202 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -55.47 -46.57 76.85 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.156 -0.965 . . . . 0.0 109.64 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.682 ' CE2' ' CZ ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -61.82 -49.45 76.24 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.449 -0.782 . . . . 0.0 110.556 -179.424 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.563 ' O ' ' NE1' ' A' ' 40' ' ' TRP . 18.6 mm-40 -68.26 -23.39 64.77 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.988 0.899 . . . . 0.0 110.785 -178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CE2' HD11 ' A' ' 42' ' ' LEU . 52.3 t80 -84.14 -28.11 27.67 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.563 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.23 -51.15 16.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.919 -1.113 . . . . 0.0 110.925 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' NE1' ' O ' ' A' ' 37' ' ' GLU . 9.9 p-90 -57.63 -39.41 76.9 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.553 -1.342 . . . . 0.0 108.227 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 84.5 m -56.42 -39.28 72.79 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.33 -0.857 . . . . 0.0 110.921 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 38' ' ' TYR . 13.7 mt -70.76 -57.67 4.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.762 -1.211 . . . . 0.0 110.268 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.528 ' O ' ' NH1' ' A' ' 83' ' ' ARG . 16.7 m -52.75 -14.43 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.223 -0.923 . . . . 0.0 108.561 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 42.4 ttt180 -81.17 10.86 4.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 28.9 t -104.26 -146.96 0.38 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.158 -0.964 . . . . 0.0 109.098 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -146.3 10.9 1.14 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.071 -1.018 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 80.4 m-85 -99.71 120.59 39.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.221 -0.924 . . . . 0.0 108.976 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -49.09 -49.29 42.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.23 -0.919 . . . . 0.0 110.806 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.05 -41.6 62.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.77 -1.206 . . . . 0.0 111.007 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' CG ' ' N ' ' A' ' 51' ' ' ILE . 0.3 OUTLIER -71.74 -50.1 33.16 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.875 -1.14 . . . . 0.0 109.521 -179.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.474 ' N ' ' CG ' ' A' ' 50' ' ' ASP . 24.0 mt -60.31 -46.34 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.518 -0.739 . . . . 0.0 109.157 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -52.38 -55.05 24.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.131 -0.981 . . . . 0.0 108.458 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt -54.94 -36.49 65.34 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -56.63 -40.27 87.59 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.4 mm -58.33 -53.67 43.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 O-C-N 121.05 -1.265 . . . . 0.0 108.712 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -54.16 -49.86 59.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 CA-C-O 121.569 0.7 . . . . 0.0 109.223 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 57' ' ' LEU . 29.6 mt -49.57 -50.43 42.41 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.499 -0.751 . . . . 0.0 110.01 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.81 -41.04 65.33 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.694 -1.254 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -61.75 -40.24 94.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.941 -1.099 . . . . 0.0 110.114 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -62.0 -35.41 78.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 110.231 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.84 -28.35 55.45 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.191 -0.943 . . . . 0.0 111.699 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -52.03 -53.97 45.99 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.833 -1.167 . . . . 0.0 111.555 -177.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -53.45 -19.55 13.61 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 N-CA-C 110.039 -0.793 . . . . 0.0 110.039 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -116.66 7.34 13.53 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.401 -0.812 . . . . 0.0 110.612 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.99 150.32 20.93 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -70.15 -168.93 0.25 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.995 -1.297 . . . . 0.0 108.486 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -75.73 -46.92 28.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.592 -1.318 . . . . 0.0 109.076 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -58.68 -49.4 77.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.452 -0.78 . . . . 0.0 109.523 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -59.84 -29.84 68.55 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.165 -0.959 . . . . 0.0 108.686 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -56.01 -52.28 64.78 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -53.54 -33.1 53.39 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.394 -0.816 . . . . 0.0 108.801 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -77.67 -49.78 13.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.213 -0.929 . . . . 0.0 109.1 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.682 ' CZ ' ' CE2' ' A' ' 36' ' ' PHE . 34.9 m-85 -52.01 -49.5 63.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.176 -0.952 . . . . 0.0 108.606 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.01 -32.13 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -69.43 -50.22 47.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.338 -0.851 . . . . 0.0 110.592 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -66.79 -34.45 77.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.656 -1.278 . . . . 0.0 109.008 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.5 mt -62.13 -46.6 88.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.232 -0.918 . . . . 0.0 109.994 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.48 -31.3 67.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.985 -1.072 . . . . 0.0 109.181 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.1 t -75.66 -45.88 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.226 -0.921 . . . . 0.0 109.54 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.7 -43.27 98.09 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -72.2 -29.73 64.25 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -1.234 . . . . 0.0 109.492 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.8 t80 -66.23 -30.21 70.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.186 -0.947 . . . . 0.0 108.93 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.528 ' NH1' ' O ' ' A' ' 43' ' ' VAL . 27.2 ttm180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.419 -0.801 . . . . 0.0 109.589 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 86' ' ' GLU . 92.3 mt -70.09 26.66 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.125 -0.984 . . . . 0.0 110.036 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 83' ' ' ARG . 64.6 mttt 57.98 1.39 0.14 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.092 -1.005 . . . . 0.0 109.852 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 84' ' ' LEU . 66.0 mm-40 -76.51 92.62 3.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.062 -1.023 . . . . 0.0 108.89 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.92 -36.72 21.26 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.486 -0.759 . . . . 0.0 110.209 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.67 -51.25 60.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.839 -1.163 . . . . 0.0 109.985 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -68.71 -46.86 67.86 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.099 -1.001 . . . . 0.0 110.204 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.37 67.33 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.949 -1.095 . . . . 0.0 109.82 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 88.6 mt -72.8 -17.8 61.54 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.118 -0.988 . . . . 0.0 109.717 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -65.07 -40.08 94.17 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -77.34 -33.88 55.36 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.29 -38.21 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.169 -0.957 . . . . 0.0 109.239 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -63.01 -46.04 89.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.35 -1.469 . . . . 0.0 108.785 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.15 -28.19 73.44 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 100' ' ' THR . 33.9 tp -60.96 -36.27 78.94 Favored 'General case' 0 C--N 1.307 -1.257 0 O-C-N 121.197 -1.178 . . . . 0.0 109.088 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.3 mt -75.98 -35.44 59.62 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.745 -1.222 . . . . 0.0 109.384 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -54.48 -24.97 22.61 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 34.0 p -94.93 -48.3 6.06 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -129.01 77.58 77.7 Favored Pre-proline 0 N--CA 1.501 2.092 0 O-C-N 121.802 -0.561 . . . . 0.0 110.126 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -66.36 -22.83 52.15 Favored 'Trans proline' 0 C--N 1.319 -1.016 0 C-N-CA 121.269 1.313 . . . . 0.0 109.57 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -80.4 -3.36 49.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.499 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.487 ' OD1' ' NE2' ' A' ' 106' ' ' GLN . 59.0 t-20 -72.03 99.23 2.23 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.265 -0.897 . . . . 0.0 109.375 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.763 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.5 OUTLIER -68.33 -35.74 78.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.252 -0.905 . . . . 0.0 109.532 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.679 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 2.7 mp0 -56.28 -43.06 78.47 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.199 -0.938 . . . . 0.0 109.186 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.02 84.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.308 -0.87 . . . . 0.0 109.476 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -56.34 -44.27 79.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.118 -0.989 . . . . 0.0 109.282 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -63.48 -51.07 67.17 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 47.2 tp -51.07 -38.85 54.09 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.505 -0.747 . . . . 0.0 109.283 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.96 -32.35 73.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.064 -1.022 . . . . 0.0 109.053 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -72.18 -46.65 55.47 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.247 -0.908 . . . . 0.0 109.556 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 36.9 mt -56.66 -46.32 81.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 108.614 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.09 -38.36 81.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 121.633 -0.667 . . . . 0.0 109.56 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -71.9 -40.47 68.84 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.482 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -56.6 -52.71 63.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.189 -0.944 . . . . 0.0 109.636 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.74 79.28 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 27.2 ttm -47.75 -46.93 30.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.729 -0.607 . . . . 0.0 110.354 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.408 ' N ' ' CD ' ' A' ' 119' ' ' LYS . 1.7 mptm? -81.88 -7.08 59.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.617 -1.302 . . . . 0.0 109.08 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 122' ' ' GLY . 52.8 tttp -79.72 -37.79 34.83 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.234 -0.916 . . . . 0.0 109.502 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -71.39 45.45 0.1 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.298 -0.876 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 164.22 53.41 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.005 -1.638 . . . . 0.0 109.005 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.39 128.82 36.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -1.042 . . . . 0.0 109.963 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 126' ' ' MET . 5.0 t -146.83 143.72 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 49.07 12.07 0.23 Allowed Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 124' ' ' VAL . 33.0 mtt 47.36 42.74 14.43 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.228 -1.16 . . . . 0.0 108.839 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' A' ' 126' ' ' MET . . . 57.78 125.86 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.875 0.845 . . . . 0.0 109.933 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.0 mm -89.12 122.94 41.05 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 109.292 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 131' ' ' GLY . 89.7 t -154.92 86.5 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 55.66 4.99 0.73 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.493 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 76.84 38.99 29.76 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 36.7 ttm -171.48 138.23 1.14 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.17 -1.194 . . . . 0.0 109.575 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -173.94 125.05 0.35 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.285 -0.885 . . . . 0.0 109.497 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 136' ' ' VAL . 21.2 mt -78.16 35.62 0.22 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.293 -0.88 . . . . 0.0 109.466 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.87 -28.12 1.35 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 134' ' ' LEU . 2.8 t -145.65 37.57 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.235 -1.156 . . . . 0.0 109.211 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -85.77 -134.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 66.01 69.46 1.35 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -78.11 -30.09 49.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.311 -1.111 . . . . 0.0 109.169 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 141' ' ' GLY . . . -67.15 149.1 50.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.33 -0.856 . . . . 0.0 109.496 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 140' ' ' ALA . . . -63.17 -133.37 0.01 OUTLIER Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 166.93 -36.62 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 10.9 tt -46.75 -22.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.273 -0.892 . . . . 0.0 109.646 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -66.76 -129.22 0.02 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.9 mt -77.76 -152.14 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -1.115 . . . . 0.0 109.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -84.45 -26.32 28.31 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.287 -0.883 . . . . 0.0 109.466 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.516 ' CD2' ' NE2' ' A' ' 149' ' ' HIS . 65.3 t60 52.92 42.12 32.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.219 -0.926 . . . . 0.0 109.419 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.552 ' ND1' ' NE2' ' A' ' 150' ' ' HIS . 0.5 OUTLIER -69.63 -170.51 0.31 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.252 -0.905 . . . . 0.0 109.488 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 148' ' ' HIS . 95.0 m-70 -158.31 -18.23 0.08 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.314 -0.866 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.552 ' NE2' ' ND1' ' A' ' 148' ' ' HIS . 39.3 m-70 51.44 -173.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.91 . . . . 0.0 109.47 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -62.05 -13.55 27.32 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.254 -0.904 . . . . 0.0 109.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.476 ' N ' ' ND1' ' A' ' 152' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 117.961 -1.018 . . . . 0.0 109.476 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' C ' ' H ' ' A' ' 3' ' ' ALA . 20.6 mmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.4 40.96 0.08 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.496 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 5' ' ' LEU . . . -167.92 166.46 13.36 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.276 -0.89 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 t -75.42 36.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.149 -0.969 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 6' ' ' ASN . 3.1 tt -82.55 122.73 28.46 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.451 -0.781 . . . . 0.0 109.124 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.495 ' N ' HD23 ' A' ' 5' ' ' LEU . 64.5 m-80 -154.68 35.86 0.41 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.697 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' VAL . 12.1 pt-20 -170.15 32.77 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.578 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.7 mt 43.07 -96.13 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.7 -0.625 . . . . 0.0 110.218 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 7' ' ' GLU . 21.9 t -74.95 139.67 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.749 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.1 m -70.5 133.53 46.89 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.323 -0.861 . . . . 0.0 109.259 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.39 -26.86 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.316 -0.865 . . . . 0.0 108.933 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -68.62 -46.3 69.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.168 -0.958 . . . . 0.0 109.005 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -63.3 -48.07 79.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.291 -0.881 . . . . 0.0 110.262 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.61 -43.73 96.05 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.945 -1.097 . . . . 0.0 109.711 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -76.44 -38.62 55.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.751 -1.218 . . . . 0.0 109.182 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -50.86 -52.23 43.68 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 41' ' ' CYS . 27.0 m-85 -64.03 -27.99 69.49 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.83 -34.57 64.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.29 -0.881 . . . . 0.0 108.674 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -54.25 -47.85 71.79 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' O ' ' OE2' ' A' ' 24' ' ' GLU . 12.8 mtmt -63.7 -48.18 78.16 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.22 -0.925 . . . . 0.0 108.653 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -52.67 -40.37 62.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.206 -0.933 . . . . 0.0 109.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -70.78 -52.3 21.52 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.387 -0.821 . . . . 0.0 110.002 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 t -58.76 -42.1 88.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.41 -43.8 79.72 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.271 -0.893 . . . . 0.0 108.763 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -62.12 -36.02 80.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.095 -1.003 . . . . 0.0 108.619 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 23' ' ' SER . . . -55.1 -45.62 75.46 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.78 -17.84 26.74 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.16 55.49 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' GLU . 74.8 m -152.46 158.48 42.66 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.517 -0.99 . . . . 0.0 109.536 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.7 t -139.35 118.2 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.449 -0.782 . . . . 0.0 109.602 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -71.93 142.8 49.45 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.572 -0.705 . . . . 0.0 109.414 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -57.33 -17.86 14.34 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.0 p -66.54 -49.2 67.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.86 . . . . 0.0 110.092 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' OE2' ' A' ' 37' ' ' GLU . 6.6 m -67.87 -36.28 80.0 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.106 -0.996 . . . . 0.0 109.981 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.082 -1.011 . . . . 0.0 110.845 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CZ ' ' CE1' ' A' ' 73' ' ' TYR . 6.8 m-85 -64.03 -51.12 65.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.179 -0.951 . . . . 0.0 110.684 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 1.5 pp20? -62.2 -15.18 44.88 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.915 -1.116 . . . . 0.0 109.683 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' HD11 ' A' ' 42' ' ' LEU . 41.3 t80 -85.07 -29.07 25.2 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.156 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -75.73 -50.58 14.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.897 -1.127 . . . . 0.0 110.783 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' NE1' ' SG ' ' A' ' 41' ' ' CYS . 2.7 p-90 -57.36 -38.55 74.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.234 -1.541 . . . . 0.0 108.011 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 17' ' ' PHE . 91.3 m -60.26 -38.07 82.36 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.135 -0.978 . . . . 0.0 110.421 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.525 HD11 ' CE2' ' A' ' 38' ' ' TYR . 6.9 mt -77.74 -56.88 4.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.985 -1.072 . . . . 0.0 111.177 -178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.3 m -52.34 -16.25 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.131 -0.981 . . . . 0.0 109.69 -178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -92.95 14.47 17.51 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.076 -1.015 . . . . 0.0 109.378 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.529 ' OG ' ' N ' ' A' ' 46' ' ' LYS . 31.1 t -90.85 -151.5 0.25 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.004 -1.06 . . . . 0.0 109.469 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' NZ ' ' CZ ' ' A' ' 47' ' ' TYR . 21.7 pttp -131.8 1.42 3.99 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.539 -0.726 . . . . 0.0 109.135 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.545 ' CZ ' ' NZ ' ' A' ' 46' ' ' LYS . 80.7 m-85 -98.34 121.32 40.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.302 -0.874 . . . . 0.0 108.992 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.74 -49.62 70.36 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.9 . . . . 0.0 110.233 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -51.99 -33.67 39.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.96 -1.087 . . . . 0.0 110.454 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.95 -29.49 68.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.977 -1.077 . . . . 0.0 109.467 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mt -79.36 -45.59 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.111 -0.993 . . . . 0.0 109.399 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' VAL . 3.5 mtt-85 -54.15 -26.22 26.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -86.43 -45.69 10.92 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.372 -0.83 . . . . 0.0 108.874 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.24 -38.63 95.96 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.139 -1.185 . . . . 0.0 110.139 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.01 -40.1 80.47 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 O-C-N 121.035 -1.274 . . . . 0.0 108.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' ARG . 53.2 t -66.42 -45.94 87.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 57' ' ' LEU . 25.7 mt -49.9 -42.33 47.82 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 39' ' ' ALA . 27.2 mt -74.57 -39.33 62.33 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.921 -1.112 . . . . 0.0 109.72 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -59.32 -37.56 78.1 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.09 -1.006 . . . . 0.0 109.991 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -68.99 -35.57 76.86 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.192 -0.942 . . . . 0.0 110.12 -179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.5 -28.96 56.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.142 -0.974 . . . . 0.0 111.167 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -51.78 -55.37 30.72 Favored Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 120.785 -1.197 . . . . 0.0 111.808 -178.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 4.0 Cg_exo -52.63 -37.9 75.35 Favored 'Trans proline' 0 C--N 1.322 -0.861 0 C-N-CA 120.798 0.998 . . . . 0.0 111.141 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -99.2 55.02 0.98 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.026 -1.046 . . . . 0.0 110.266 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -144.68 157.14 27.16 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.6 m -70.67 -177.94 1.69 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.14 -1.212 . . . . 0.0 109.232 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -75.46 -41.93 54.46 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.946 -1.096 . . . . 0.0 109.504 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.535 ' CD ' HH12 ' A' ' 71' ' ' ARG . 4.4 tm-20 -67.65 -49.76 61.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 108.857 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.2 -31.08 65.11 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.347 -0.846 . . . . 0.0 109.283 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -64.33 -46.57 82.9 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.157 -0.964 . . . . 0.0 108.949 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.535 HH12 ' CD ' ' A' ' 68' ' ' GLU . 2.2 mtm-85 -52.33 -30.3 27.8 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.227 -0.921 . . . . 0.0 109.048 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -71.48 -51.64 22.65 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.077 -1.014 . . . . 0.0 109.3 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.614 ' CE1' ' CZ ' ' A' ' 36' ' ' PHE . 3.0 m-85 -59.49 -29.41 67.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.145 -0.972 . . . . 0.0 109.215 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.77 -41.96 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.177 -0.952 . . . . 0.0 108.651 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.3 -49.8 76.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.672 -0.642 . . . . 0.0 110.613 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -62.83 -39.71 95.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.765 -1.21 . . . . 0.0 110.49 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.29 -44.77 95.08 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.001 -1.062 . . . . 0.0 109.584 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.62 -31.43 62.27 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.056 -1.027 . . . . 0.0 108.865 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.64 -42.07 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.99 -41.65 98.53 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -68.34 -29.44 68.17 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.247 . . . . 0.0 109.438 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.19 -29.65 69.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.302 -0.874 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -72.66 -47.71 45.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.189 -179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 86' ' ' GLU . 47.7 mt -71.8 31.6 0.05 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.979 -1.076 . . . . 0.0 110.064 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 87' ' ' TYR . 58.8 mttt 61.77 -16.02 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.307 -0.87 . . . . 0.0 110.633 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -57.74 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.741 -1.225 . . . . 0.0 108.498 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' N ' ' O ' ' A' ' 85' ' ' LYS . 49.5 m-85 -82.46 -37.56 25.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.428 -0.795 . . . . 0.0 110.205 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.63 -51.51 34.32 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.865 -1.147 . . . . 0.0 110.467 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.79 -37.68 82.73 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.093 -1.004 . . . . 0.0 110.231 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.67 94.34 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.843 -1.161 . . . . 0.0 109.873 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 95' ' ' ARG . 65.2 mt -70.01 -18.62 63.32 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.09 -40.02 90.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -76.16 -35.73 59.04 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.94 -31.91 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.37 -0.831 . . . . 0.0 109.776 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 91' ' ' LEU . 17.8 mmm-85 -68.75 -48.61 63.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.613 -1.304 . . . . 0.0 109.731 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.72 -29.63 75.02 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.206 -1.557 . . . . 0.0 109.206 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' O ' ' OG1' ' A' ' 100' ' ' THR . 25.7 tp -59.6 -39.69 85.01 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.504 -0.998 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ALA . 72.5 mt -75.85 -28.09 58.07 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.829 -1.17 . . . . 0.0 110.15 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.59 -28.58 63.75 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 72.4 p -86.87 -50.88 6.41 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.713 -0.617 . . . . 0.0 109.587 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -130.8 77.35 75.66 Favored Pre-proline 0 N--CA 1.501 2.11 0 O-C-N 121.701 -0.625 . . . . 0.0 110.212 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.48 -8.61 21.35 Favored 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.405 1.403 . . . . 0.0 109.793 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -89.09 -6.84 56.78 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.291 -0.881 . . . . 0.0 109.588 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 107' ' ' ALA . 7.1 t-20 -72.89 105.13 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.167 -0.958 . . . . 0.0 109.563 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -68.7 -36.51 78.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.274 -0.891 . . . . 0.0 109.661 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -56.88 -49.22 76.2 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.903 . . . . 0.0 109.457 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.451 ' HB2' ' OD1' ' A' ' 104' ' ' ASN . . . -56.94 -39.92 75.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.266 -0.896 . . . . 0.0 109.337 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.58 -40.19 95.09 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.25 -0.906 . . . . 0.0 109.171 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.62 -51.84 67.15 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.363 -0.836 . . . . 0.0 109.422 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.67 -37.84 59.46 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.53 -0.731 . . . . 0.0 109.481 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -65.04 -38.89 92.33 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.039 -1.038 . . . . 0.0 109.102 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -54.81 -51.67 65.07 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 121.334 -0.853 . . . . 0.0 109.618 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.2 -44.01 87.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.179 -0.951 . . . . 0.0 109.085 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 91.7 mt -69.0 -34.57 64.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 121.448 -0.782 . . . . 0.0 109.51 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.02 -49.49 19.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -55.81 -51.46 67.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.143 -0.973 . . . . 0.0 109.833 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.83 78.21 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 44.6 ttm -49.0 -48.38 43.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.529 -0.732 . . . . 0.0 110.345 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.63 -29.17 61.18 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.542 -1.349 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 122' ' ' GLY . 84.0 tttt -53.31 -46.74 69.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 109.383 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -68.34 48.95 0.06 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.851 . . . . 0.0 109.299 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 120' ' ' LYS . . . -69.67 122.47 12.11 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 122' ' ' GLY . 44.5 mt -54.68 -174.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.219 -1.165 . . . . 0.0 108.373 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.522 ' O ' ' SD ' ' A' ' 126' ' ' MET . 0.2 OUTLIER -111.64 134.02 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 126' ' ' MET . . . -87.44 -31.64 15.76 Favored Glycine 0 N--CA 1.496 2.639 0 C-N-CA 120.312 -0.947 . . . . 0.0 110.832 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.522 ' SD ' ' O ' ' A' ' 124' ' ' VAL . 0.0 OUTLIER 33.38 -138.39 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 118.094 0.947 . . . . 0.0 110.645 -179.007 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.71 131.06 45.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.961 -1.087 . . . . 0.0 108.863 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 129' ' ' VAL . 96.1 mt -117.19 155.96 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.598 -0.689 . . . . 0.0 109.268 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.413 ' N ' HG22 ' A' ' 128' ' ' ILE . 40.8 t -148.0 -34.44 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.206 -0.934 . . . . 0.0 109.401 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 177.28 77.77 0.05 OUTLIER Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -72.02 -161.45 5.2 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 56.7 mtt -63.17 156.35 25.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.271 -1.135 . . . . 0.0 109.451 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 135' ' ' GLY . . . -168.87 127.54 1.06 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.347 -0.846 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 135' ' ' GLY . 14.2 mt -76.31 35.68 0.14 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.182 -0.949 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 133' ' ' ALA . . . 57.06 106.81 0.01 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.53 -17.01 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.23 -1.159 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -82.42 43.84 0.84 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 109.43 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.41 43.5 1.32 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.5 mt -68.37 -75.66 0.1 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -1.162 . . . . 0.0 109.442 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -141.85 -167.59 2.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.301 -0.875 . . . . 0.0 109.207 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 142' ' ' LEU . . . 171.03 48.67 0.04 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 141' ' ' GLY . 2.4 mp -105.16 -61.21 1.51 Allowed 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.397 -1.061 . . . . 0.0 109.198 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 15.9 tt -76.43 -12.8 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -0.855 . . . . 0.0 109.38 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.66 105.26 0.71 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 145' ' ' LEU . 2.9 mm? -64.12 102.03 0.46 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.267 -1.137 . . . . 0.0 109.193 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.584 ' H ' ' CD ' ' A' ' 146' ' ' GLU . 20.8 mp0 -46.82 -91.34 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.335 -0.853 . . . . 0.0 109.663 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -167.18 149.87 6.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.269 -0.894 . . . . 0.0 109.552 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -76.84 -86.25 0.05 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.315 -0.866 . . . . 0.0 109.42 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.611 ' CG ' ' H ' ' A' ' 150' ' ' HIS . 17.2 t-160 -170.04 -125.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.408 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.611 ' H ' ' CG ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -166.5 -60.0 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.216 -0.928 . . . . 0.0 109.428 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 150' ' ' HIS . 51.8 t-80 52.88 97.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.241 -0.912 . . . . 0.0 109.456 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.485 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.2 mpt? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -170.27 49.16 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.279 -0.888 . . . . 0.0 109.432 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -171.82 128.98 0.64 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.276 -0.89 . . . . 0.0 109.426 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' ALA . 95.9 t 51.63 98.91 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.555 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 mm? -81.97 123.22 28.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.175 -0.953 . . . . 0.0 109.134 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -169.17 146.86 3.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.53 146.74 53.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -0.876 . . . . 0.0 109.497 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.98 -78.34 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.649 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 t -77.17 122.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.762 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.2 m -64.54 135.26 55.82 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.221 -0.924 . . . . 0.0 108.939 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -47.68 -25.81 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.193 -0.942 . . . . 0.0 109.17 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 42.7 mt-10 -68.6 -45.97 70.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.12 -0.988 . . . . 0.0 109.49 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.73 -43.04 99.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.222 -0.924 . . . . 0.0 110.742 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.531 HD23 ' SG ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -70.85 -44.31 66.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.87 -1.144 . . . . 0.0 109.913 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.3 mt -78.38 -30.35 47.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.717 -1.24 . . . . 0.0 110.156 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 34.5 ttpt -55.13 -55.16 34.29 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.884 -1.135 . . . . 0.0 109.236 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.9 -24.53 63.41 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.137 -0.977 . . . . 0.0 108.808 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -72.22 -33.83 67.88 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -47.25 76.62 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -61.04 -47.84 84.52 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.095 -1.003 . . . . 0.0 109.069 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -53.76 -32.49 52.51 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.253 -0.904 . . . . 0.0 109.564 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -72.67 -52.09 16.71 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.28 -0.888 . . . . 0.0 109.625 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 p -64.63 -47.64 77.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.808 -1.182 . . . . 0.0 109.791 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 29' ' ' SER . 42.2 mt-10 -58.82 -43.55 90.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.201 -0.937 . . . . 0.0 109.124 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -69.7 -40.01 76.56 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.187 -0.946 . . . . 0.0 108.906 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.94 -38.82 68.18 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -14.41 26.37 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.72 16.93 53.87 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLU . 38.0 m -156.07 123.71 5.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.426 -1.044 . . . . 0.0 109.489 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -107.26 122.39 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.505 -0.747 . . . . 0.0 109.543 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.5 p -70.57 137.75 50.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.44 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -58.82 -18.61 33.84 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 109.371 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -64.63 -48.62 74.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.627 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' TYR . 21.7 m -71.64 -39.62 70.24 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.135 -0.978 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.94 -39.04 65.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.231 -0.918 . . . . 0.0 109.369 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 3.2 m-85 -74.08 -50.1 21.1 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.234 -0.916 . . . . 0.0 109.888 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -71.17 -16.72 62.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.919 -1.113 . . . . 0.0 109.009 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.491 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 10.6 t80 -78.86 -31.66 45.68 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -74.11 -38.88 63.71 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.213 -0.929 . . . . 0.0 108.86 179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.477 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -53.19 -54.13 40.4 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.531 ' SG ' HD23 ' A' ' 14' ' ' LEU . 11.3 p -53.73 -39.09 64.99 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.725 -179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.2 mt -78.17 -36.81 47.07 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.078 -1.014 . . . . 0.0 110.138 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.2 t -49.7 -22.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 45' ' ' SER . 44.2 mtp180 -94.41 -105.63 0.14 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 47' ' ' TYR . 8.7 t 57.94 124.94 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.532 -0.73 . . . . 0.0 110.285 179.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -64.08 3.97 0.37 Allowed 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.557 ' H ' ' C ' ' A' ' 45' ' ' SER . 77.9 m-85 -110.57 138.09 47.42 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.549 -0.72 . . . . 0.0 109.457 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -71.91 -48.29 46.64 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.305 -0.872 . . . . 0.0 110.925 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -52.45 -33.75 45.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.864 -1.148 . . . . 0.0 110.557 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.25 -29.17 69.35 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.09 -1.006 . . . . 0.0 109.082 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 54.9 mt -75.65 -38.24 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.117 -0.989 . . . . 0.0 108.788 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -50.69 -52.95 35.31 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -51.72 -44.31 63.18 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -52.78 -42.92 59.95 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.754 -1.339 . . . . 0.0 109.754 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 mm -59.81 -54.45 34.51 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 120.903 -1.351 . . . . 0.0 108.83 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.53 -51.89 64.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 CA-C-O 121.542 0.687 . . . . 0.0 109.199 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 57' ' ' LEU . 43.7 mt -48.67 -48.11 40.21 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.544 -0.722 . . . . 0.0 109.672 -179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.21 -45.04 35.01 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.858 -1.151 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -55.97 -31.66 63.19 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.814 -1.179 . . . . 0.0 110.121 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -73.51 -37.33 65.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -0.996 . . . . 0.0 110.006 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 16.8 mt -76.25 -29.46 57.5 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.084 -1.01 . . . . 0.0 111.16 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 2.8 mp -50.5 -55.75 23.78 Favored Pre-proline 0 N--CA 1.486 1.342 0 O-C-N 120.629 -1.294 . . . . 0.0 110.856 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 6.3 Cg_exo -53.51 -25.55 32.87 Favored 'Trans proline' 0 C--N 1.321 -0.881 0 N-CA-C 109.964 -0.821 . . . . 0.0 109.964 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -99.11 33.05 2.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.274 -0.891 . . . . 0.0 109.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -136.43 156.85 23.28 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.7 p -79.85 -168.13 1.5 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.273 -1.133 . . . . 0.0 109.294 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -73.84 -39.02 64.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.076 -1.015 . . . . 0.0 109.737 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -72.77 -41.57 64.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 108.793 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.88 -35.42 76.57 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 108.637 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.46 -40.63 85.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.847 . . . . 0.0 109.1 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' OE2' ' A' ' 101' ' ' GLU . 12.2 ttp180 -51.87 -34.77 42.47 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.927 . . . . 0.0 108.712 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -76.85 -51.33 11.49 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.096 -1.003 . . . . 0.0 109.57 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.517 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.7 m-85 -62.76 -40.16 96.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.195 -0.94 . . . . 0.0 109.851 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.9 t -59.08 -36.79 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.015 -1.053 . . . . 0.0 108.628 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -59.42 -45.0 92.77 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.647 -0.658 . . . . 0.0 110.041 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -70.0 -37.27 75.63 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.956 -1.09 . . . . 0.0 110.289 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.05 -44.94 94.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.021 -1.049 . . . . 0.0 109.145 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.74 -34.95 71.95 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.152 -0.968 . . . . 0.0 108.995 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.54 -38.69 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.43 -44.79 63.09 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -66.05 -28.97 69.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.116 -1.226 . . . . 0.0 109.066 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 2.0 t80 -68.64 -30.35 69.03 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.302 -0.873 . . . . 0.0 109.121 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' ' 85' ' ' LYS . 8.7 tpm_? -68.68 -43.21 76.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.63 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 86' ' ' GLU . 54.9 mt -71.79 28.19 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.243 -0.911 . . . . 0.0 110.025 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 83' ' ' ARG . 41.9 mttm 59.46 -1.97 0.13 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.262 -0.899 . . . . 0.0 110.312 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -72.84 93.82 1.74 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.896 -1.127 . . . . 0.0 108.913 179.785 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -84.97 -36.9 21.06 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.508 -0.745 . . . . 0.0 109.961 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 20.6 mp0 -67.15 -39.76 86.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.002 -1.061 . . . . 0.0 110.588 -178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -76.68 -46.24 26.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.998 -1.064 . . . . 0.0 110.648 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.11 67.59 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.022 -1.049 . . . . 0.0 109.986 -179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 114' ' ' ILE . 6.4 mp -54.8 -52.09 63.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.113 -0.992 . . . . 0.0 108.59 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -44.18 -34.31 1.81 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.67 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -76.33 -48.93 18.29 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.999 -1.063 . . . . 0.0 108.784 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -28.36 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.458 -0.776 . . . . 0.0 110.071 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -67.02 -47.47 71.34 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.691 -1.256 . . . . 0.0 109.603 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.63 -28.6 72.03 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' ' OG1' ' A' ' 100' ' ' THR . 30.0 tp -59.68 -37.21 78.17 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.498 -1.001 . . . . 0.0 108.97 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD21 ' HB3' ' A' ' 107' ' ' ALA . 88.7 mt -76.77 -33.3 58.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.782 -1.199 . . . . 0.0 109.557 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -53.43 -26.16 18.83 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 80.2 p -86.52 -50.96 6.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.525 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 56.7 mt-10 -132.47 79.34 65.47 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.721 -0.612 . . . . 0.0 109.831 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.4 -16.61 48.39 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 121.16 1.24 . . . . 0.0 109.682 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -81.86 1.6 34.21 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.258 -0.901 . . . . 0.0 109.754 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -79.82 103.01 9.42 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.072 -1.018 . . . . 0.0 109.698 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -72.23 -35.29 68.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.283 -0.886 . . . . 0.0 109.829 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.21 -35.79 67.71 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.15 -0.969 . . . . 0.0 109.314 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.657 ' HB3' HD21 ' A' ' 98' ' ' LEU . . . -75.77 -28.07 58.29 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.121 -0.987 . . . . 0.0 109.105 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -71.48 -50.14 34.42 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 109.837 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.66 -32.33 67.2 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.014 -1.054 . . . . 0.0 109.312 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.14 -43.29 99.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.988 -1.07 . . . . 0.0 108.894 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -54.27 -38.51 65.92 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -62.01 -50.99 69.83 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.295 -0.878 . . . . 0.0 110.404 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 26.1 mt -55.56 -49.17 73.39 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.011 -1.056 . . . . 0.0 109.228 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 91' ' ' LEU . 51.9 mt -67.33 -40.9 85.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 121.415 -0.803 . . . . 0.0 109.255 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.08 -46.2 68.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.853 . . . . 0.0 109.517 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -56.35 -51.8 66.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.22 -0.925 . . . . 0.0 109.472 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.01 77.8 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.12 -1.032 . . . . 0.0 108.233 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 28.8 ttm -46.48 -40.39 12.34 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.466 -0.771 . . . . 0.0 110.312 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' ' 121' ' ' ASP . 57.0 mttm -72.72 -23.87 60.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.672 -1.267 . . . . 0.0 110.336 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 122' ' ' GLY . 23.2 pttt -63.79 0.85 0.73 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.867 -1.146 . . . . 0.0 109.286 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 119' ' ' LYS . 15.0 p-10 -59.78 1.29 0.1 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.124 -0.985 . . . . 0.0 109.829 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . 74.37 -156.13 49.57 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 122' ' ' GLY . 16.3 mt 52.93 105.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.569 -0.959 . . . . 0.0 109.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.515 HG22 ' N ' ' A' ' 125' ' ' GLY . 12.4 p -140.8 164.2 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.542 -0.724 . . . . 0.0 109.657 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 124' ' ' VAL . . . 59.51 0.43 0.88 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 124' ' ' VAL . 73.3 mmm -67.62 -134.83 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -1.166 . . . . 0.0 109.186 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.13 130.83 43.8 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.162 -0.962 . . . . 0.0 109.362 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.52 135.13 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 CA-C-O 121.672 0.748 . . . . 0.0 109.074 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 37.5 t -123.21 109.03 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 179.23 -100.12 0.13 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.73 65.25 3.95 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 46.6 ttp -67.96 118.77 11.59 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.236 -1.155 . . . . 0.0 109.468 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -172.64 159.81 4.45 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.903 . . . . 0.0 109.441 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.7 mt -69.97 127.42 32.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.238 -0.914 . . . . 0.0 109.467 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' VAL . . . -73.14 -143.0 0.56 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 138' ' ' GLY . 31.4 m 35.27 42.34 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.954 -0.733 . . . . 0.0 110.846 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 136' ' ' VAL . . . 62.16 -73.38 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.387 -0.821 . . . . 0.0 109.665 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 136' ' ' VAL . . . 86.26 -44.79 3.38 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.14 -37.12 80.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.293 -1.122 . . . . 0.0 109.503 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.95 123.14 22.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.479 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -73.58 85.02 0.64 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.67 -71.55 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -1.156 . . . . 0.0 109.371 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 16.5 tt -69.51 -31.15 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.223 -0.923 . . . . 0.0 109.387 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.19 172.12 18.0 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 147' ' ' HIS . 6.3 mp -77.84 102.45 7.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -1.146 . . . . 0.0 109.246 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -51.11 90.09 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.288 -0.882 . . . . 0.0 109.466 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 147' ' ' HIS . 1.8 p80 -53.55 99.73 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.256 -0.902 . . . . 0.0 109.541 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -171.25 -48.85 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.197 -0.939 . . . . 0.0 109.49 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -62.26 131.12 48.33 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.449 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -66.22 135.09 53.99 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.279 -0.888 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.07 -10.1 27.62 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.451 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -163.83 -42.92 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 109.381 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -166.76 97.5 0.55 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.197 -0.939 . . . . 0.0 109.473 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.44 HG22 ' H ' ' A' ' 4' ' ' VAL . 3.7 m -92.17 66.48 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.38 -0.825 . . . . 0.0 109.413 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.9 mt -69.95 177.7 3.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 7' ' ' GLU . 17.2 p-10 -169.0 162.95 11.28 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.235 -0.916 . . . . 0.0 109.412 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 6' ' ' ASN . 34.9 tt0 60.2 147.88 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.479 -0.763 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.86 -77.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.173 -0.955 . . . . 0.0 109.674 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.5 t -84.34 142.02 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.309 -0.87 . . . . 0.0 109.563 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -76.19 130.26 37.97 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -47.51 -24.62 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.179 -0.951 . . . . 0.0 108.892 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.558 ' H ' ' CD ' ' A' ' 12' ' ' GLU . 1.7 mp0 -66.78 -45.84 77.2 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.285 -0.885 . . . . 0.0 109.008 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -66.93 -35.86 80.93 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.284 -0.885 . . . . 0.0 110.117 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.03 -49.46 57.38 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 -179.429 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LYS . 60.9 mt -78.33 -31.81 48.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 110.518 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 12' ' ' GLU . 28.8 ttpt -54.12 -53.23 56.05 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.017 -1.052 . . . . 0.0 110.065 -179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -74.87 -26.95 60.03 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.986 -1.071 . . . . 0.0 109.638 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.71 -32.42 62.14 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.8 -48.02 76.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -61.22 -47.81 84.39 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.242 -0.911 . . . . 0.0 109.033 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -52.95 -35.05 58.27 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.193 -0.942 . . . . 0.0 109.447 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -73.35 -52.47 13.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.267 -0.895 . . . . 0.0 109.766 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -61.17 -49.39 77.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.853 -1.155 . . . . 0.0 109.591 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' SER . 59.4 mt-10 -58.21 -51.2 70.73 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.209 -0.932 . . . . 0.0 109.088 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -59.0 -40.32 84.52 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.069 -1.019 . . . . 0.0 108.994 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.68 66.99 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -14.62 47.97 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.87 9.89 51.05 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.464 ' O ' ' O ' ' A' ' 24' ' ' GLU . 8.0 t -152.56 158.32 42.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.338 -1.095 . . . . 0.0 109.605 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.6 t -140.57 128.36 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.281 -0.887 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.1 p -70.52 139.48 51.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.435 -0.791 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -57.74 -18.2 19.95 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.407 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -66.55 -48.43 69.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.342 -0.849 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 m -64.59 -41.78 96.02 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.192 -0.942 . . . . 0.0 109.722 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -56.95 -42.17 79.61 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.092 -1.005 . . . . 0.0 109.233 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 73' ' ' TYR . 2.2 m-85 -71.66 -50.06 34.08 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.239 -0.913 . . . . 0.0 109.796 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 38.7 mt-10 -71.82 -15.39 62.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.079 -1.013 . . . . 0.0 109.927 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 20.1 t80 -77.75 -35.34 51.88 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.839 -1.163 . . . . 0.0 108.794 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -73.45 -37.92 65.66 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.257 -0.902 . . . . 0.0 109.387 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.642 ' HE1' ' CZ ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -55.44 -53.15 59.86 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.975 -1.078 . . . . 0.0 108.441 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 4.1 m -53.83 -39.45 65.57 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.532 -0.73 . . . . 0.0 109.657 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 38' ' ' TYR . 16.7 mt -77.75 -45.28 25.13 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.063 -1.023 . . . . 0.0 110.127 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.822 HG23 ' O ' ' A' ' 39' ' ' ALA . 99.6 t -54.17 -24.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 O-C-N 121.074 -1.016 . . . . 0.0 109.905 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.642 ' CZ ' ' HE1' ' A' ' 40' ' ' TRP . 30.2 ttm180 -97.23 22.44 8.63 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.535 -0.728 . . . . 0.0 109.319 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 p -94.33 151.54 19.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.958 -1.088 . . . . 0.0 109.352 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -78.81 -4.31 48.83 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.404 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -92.93 138.17 31.72 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.24 -0.912 . . . . 0.0 109.054 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.714 ' H ' HD22 ' A' ' 48' ' ' ASN . 0.8 OUTLIER -71.05 -48.98 49.71 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.245 -0.909 . . . . 0.0 110.782 -178.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -52.3 -36.67 53.67 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.889 -1.132 . . . . 0.0 110.724 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.19 -32.1 73.62 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.972 -1.08 . . . . 0.0 109.366 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -78.48 -39.61 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.927 -1.108 . . . . 0.0 108.781 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -52.13 -54.24 32.98 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -56.36 -40.34 74.37 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.74 -40.59 64.26 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.7 mm -58.63 -56.11 18.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 O-C-N 120.762 -1.434 . . . . 0.0 108.962 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 25.3 t -51.63 -51.4 26.55 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.5 mt -47.96 -49.85 29.14 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.305 -0.872 . . . . 0.0 109.463 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.9 mt -75.73 -44.17 43.26 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.896 -1.128 . . . . 0.0 109.996 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -51.99 -39.95 60.2 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.996 -1.065 . . . . 0.0 110.224 -179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 56' ' ' VAL . 1.4 mp0 -72.95 -31.55 64.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.036 -1.04 . . . . 0.0 109.91 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 36' ' ' PHE . 42.0 mt -75.35 -30.54 60.27 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.95 -1.094 . . . . 0.0 111.041 -179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' N ' ' HD2' ' A' ' 63' ' ' PRO . 4.9 mp -52.38 -55.7 29.32 Favored Pre-proline 0 N--CA 1.488 1.444 0 O-C-N 120.73 -1.231 . . . . 0.0 111.25 -178.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 62' ' ' LEU . 2.2 Cg_endo -55.43 -28.32 63.15 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 CA-C-N 119.466 0.845 . . . . 0.0 110.262 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -96.42 35.15 1.51 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.167 -0.958 . . . . 0.0 109.845 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -131.38 -135.37 3.74 Favored Glycine 0 N--CA 1.5 2.931 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 p -147.36 -169.51 3.33 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.329 -1.1 . . . . 0.0 108.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -75.46 -44.43 44.22 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -73.88 -47.34 38.77 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -56.75 -30.92 64.06 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.12 -40.03 75.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.939 . . . . 0.0 108.724 179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -52.8 -31.72 40.19 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -77.65 -52.82 8.37 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.068 -1.02 . . . . 0.0 109.663 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 36' ' ' PHE . 2.2 m-85 -60.24 -38.29 82.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.068 -1.02 . . . . 0.0 108.957 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.83 -37.35 59.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -58.67 -49.0 79.16 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.726 -0.609 . . . . 0.0 110.564 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -68.28 -37.03 80.27 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.722 -1.236 . . . . 0.0 110.158 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.4 -45.07 92.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.99 -1.069 . . . . 0.0 109.436 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.32 72.33 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.144 -0.973 . . . . 0.0 109.343 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.2 t -74.45 -41.3 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.244 -0.91 . . . . 0.0 109.773 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.59 -43.58 91.83 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -67.43 -26.54 66.46 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -1.146 . . . . 0.0 109.56 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 1.9 t80 -68.94 -32.76 72.6 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.357 -0.839 . . . . 0.0 109.392 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.542 ' C ' ' H ' ' A' ' 85' ' ' LYS . 34.8 mtt180 -75.3 -45.96 36.43 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.064 -1.022 . . . . 0.0 109.51 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 86' ' ' GLU . 36.9 mt -65.94 28.59 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 110.522 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 83' ' ' ARG . 44.3 mttm 55.07 4.41 0.08 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.894 -1.129 . . . . 0.0 109.767 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 84' ' ' LEU . 92.5 mt-10 -82.01 83.72 7.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.163 -0.961 . . . . 0.0 108.989 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -78.95 -37.2 40.24 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.332 -0.855 . . . . 0.0 109.742 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.65 -50.87 72.25 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.948 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -69.15 -42.84 75.41 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 109.563 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.37 86.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.209 -0.932 . . . . 0.0 109.586 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.583 ' CD1' HG21 ' A' ' 114' ' ' ILE . 4.1 mp -70.55 -19.41 62.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.088 -1.007 . . . . 0.0 109.078 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HA ' HH21 ' A' ' 95' ' ' ARG . 59.7 tttp -75.65 -37.46 59.61 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.981 -1.074 . . . . 0.0 108.441 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -75.89 -37.74 58.53 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.656 -0.653 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -32.6 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.146 -0.972 . . . . 0.0 110.959 -178.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.521 ' NE ' ' O ' ' A' ' 91' ' ' LEU . 52.5 mtm180 -71.64 -48.77 45.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.618 -1.301 . . . . 0.0 110.16 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -67.82 -29.27 73.59 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 100' ' ' THR . 9.5 tp -58.0 -45.74 86.35 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.609 -0.936 . . . . 0.0 108.53 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.34 -35.33 77.62 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.919 -1.113 . . . . 0.0 109.996 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -49.56 -32.95 13.65 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 97' ' ' LEU . 75.6 p -76.47 -48.35 19.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.468 -0.77 . . . . 0.0 109.001 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -131.73 76.01 75.21 Favored Pre-proline 0 N--CA 1.497 1.876 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -57.6 -19.65 38.19 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.302 1.334 . . . . 0.0 109.817 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -79.74 5.8 12.49 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.838 . . . . 0.0 109.663 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -80.23 106.42 12.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.122 -0.986 . . . . 0.0 109.493 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.766 ' H ' HD22 ' A' ' 105' ' ' ASN . 0.6 OUTLIER -74.76 -36.84 62.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.285 -0.884 . . . . 0.0 109.854 -179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -56.15 -43.41 78.25 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.194 -0.941 . . . . 0.0 109.818 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.57 -33.89 76.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.167 -0.958 . . . . 0.0 109.578 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.25 -38.73 92.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.175 -0.953 . . . . 0.0 109.782 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.3 OUTLIER -62.33 -55.1 31.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.137 -0.977 . . . . 0.0 109.427 -179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.2 -42.7 51.89 Favored 'General case' 0 C--N 1.297 -1.712 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.556 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.019 -1.05 . . . . 0.0 108.959 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -71.88 -46.06 59.13 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.374 -0.829 . . . . 0.0 109.719 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' A' ' 113' ' ' LEU . 32.1 mt -57.22 -46.9 82.53 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.179 -0.951 . . . . 0.0 109.151 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.583 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.5 mt -63.26 -51.18 74.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.576 -0.702 . . . . 0.0 109.7 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -54.49 -37.61 65.47 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.355 -0.841 . . . . 0.0 109.905 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -58.73 -52.71 64.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.044 -1.035 . . . . 0.0 109.915 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.9 75.19 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 65.0 mtp -49.27 -47.33 46.76 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.552 -0.717 . . . . 0.0 110.31 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -63.68 -30.25 71.38 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.678 -1.264 . . . . 0.0 109.281 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 122' ' ' GLY . 51.9 mtpt -79.0 -72.38 0.39 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.367 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -68.29 8.92 0.38 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.336 -0.852 . . . . 0.0 109.522 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 120' ' ' LYS . . . -67.26 109.67 3.04 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.56 120.76 7.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -1.115 . . . . 0.0 109.328 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.551 HG22 ' N ' ' A' ' 125' ' ' GLY . 6.2 p -69.55 162.37 3.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.779 . . . . 0.0 109.379 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.551 ' N ' HG22 ' A' ' 124' ' ' VAL . . . -50.32 130.04 29.02 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.415 ' O ' ' O ' ' A' ' 125' ' ' GLY . 64.0 mtt -51.97 -96.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.228 -1.16 . . . . 0.0 109.059 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.13 132.61 37.74 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.254 -0.904 . . . . 0.0 109.067 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 128' ' ' ILE . 17.4 mm -139.91 158.96 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' A' ' 131' ' ' GLY . 61.7 t -149.15 110.16 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.27 -0.894 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 74.29 -23.59 1.18 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 129' ' ' VAL . . . 84.88 -129.03 9.0 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.1 tpt 54.4 97.43 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -1.173 . . . . 0.0 109.451 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -166.04 25.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 122.185 0.993 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.04 97.77 2.94 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.44 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 179.25 -66.02 0.08 OUTLIER Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 29.5 m -60.1 -11.45 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.283 -1.127 . . . . 0.0 109.468 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.33 -16.27 63.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.273 -0.892 . . . . 0.0 109.454 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 64.78 76.78 0.28 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 139' ' ' LEU . 3.5 mm? -70.7 -48.59 53.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.265 -1.138 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -140.5 -94.14 0.15 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 168.36 76.59 0.04 OUTLIER Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.88 -171.31 0.52 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.278 -1.131 . . . . 0.0 109.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 2.5 pp -68.04 1.23 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.226 -0.921 . . . . 0.0 109.458 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 169.23 163.38 23.17 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -154.59 0.1 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -1.162 . . . . 0.0 109.39 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.32 3.46 51.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.33 -0.857 . . . . 0.0 109.404 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 148' ' ' HIS . 50.3 m-70 51.85 54.9 10.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 109.437 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' A' ' 147' ' ' HIS . 2.4 t60 55.31 103.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.255 -0.903 . . . . 0.0 109.441 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -52.79 -56.53 15.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.279 -0.888 . . . . 0.0 109.481 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 151' ' ' HIS . 6.9 t60 -53.38 134.24 40.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.532 ' NE2' ' NE2' ' A' ' 150' ' ' HIS . 48.8 m-70 50.5 -177.63 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.259 -0.9 . . . . 0.0 109.532 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.467 ' HD1' ' C ' ' A' ' 152' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.462 179.989 . . . . . . . . 2 2 . 1 stop_ save_